Basic information
- CAS
1452-77-3- Standard SMILES
NC(=O)c1ccccn1- InChIKey
IBBMAWULFFBRKK-UHFFFAOYSA-N- Molecular formula
- C6H6N2O
- Average molar mass
- 122.12 g/mol
- Monoisotopic mass
- 122.04801281
Overview
Picolinamide is a pyridinecarboxamide that is the monocarboxylic acid amide derivative of picolinic acid. It is functionally related to a picolinic acid.
Names & identifiers
- Preferred name
- 2-Pyridinecarboxamide
- IUPAC
- pyridine-2-carboxamide
- English name
- Pyridine-2-carboxamide
- Molecular formula
- C6H6N2O
- Molecular weight
- 122.12
Names & synonyms
Picolinamide1452-77-32-PyridinecarboxamideDTXSID4061703I3550CCL59NSC-524473CHEBI:8200RefChem:174161DTXCID5034725215-921-5PYRIDINE-2-CARBOXAMIDE2-Picolinamide
Show more names
PicolinaMide 98%Picolinamide ,98%2-Picolinamide>alpha-PicolinamideTIMTEC-BB SBB008128
Picolinoylamide2-CarbamoylpyridinePicolinic acid amide2-aminocarbonyl-pyridinealpha-PicolinamideMFCD00023483.alpha.-Picolinic acid amidealpha - picolinamide
Database identifiers
- CAS
1452-77-3- PubChem CID
- 15070
- DTXSID
DTXSID4061703- ChEBI
CHEBI:8200- UNII
- I3550CCL59
- EC Number
- 215-921-5
- Nikkaji
- J27.993E
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 56 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 114
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
LogP0.15
Physicochemical properties
- Melting point
- 110 °C · 110 °C (dec.)(lit.)
- Boiling point
- 143 °C · 143 °C / 20mmHg
- Density
- 1.2236 · 1.2236 (rough estimate)
- refractive index
- 1.535 · 1.5350 (estimate)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- 1 · pK1: 2.10(+1) (20°C)
- form
- Solid
- color
- White to Off-White
- BRN
- 109617 · 109617
- Cosmetics Ingredients Functions
- SKIN CONDITIONING - EMOLLIENT
- InChI
- InChI=1S/C6H6N2O/c7-6(9)5-3-1-2-4-8-5/h1-4H,(H2,7,9)
- InChIKey
- IBBMAWULFFBRKK-UHFFFAOYSA-N
- SMILES
- C1(C(N)=O)=NC=CC=C1
- CAS DataBase Reference
- 1452 · 1452-77-3(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 3550 CCL59 · I3550CCL59
- EPA Substance Registry System
- 2 · 2-Pyridinecarboxamide (1452-77-3)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HS Code
- 29333990 · 29333990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 72 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29333990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Pyridinecarboxamide: INACTIVE
Applications
UsesPicolinamide was used as template in preparation of molecular imprinting polymer. Picolinamide was used in a study to evaluate kinetics and mechanism of liberation of picolinamide from chromium(III)-picolinamide complexes in HClO4.
UsesA nicotinic acid derivative for prevention and treatment of cancer by activating RUNX3 gene.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
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环生美森医药技术（山东）有限公司0531-88762217 18301471076 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
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北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
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安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
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上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
济南德信佳生物科技有限公司0531-82375886 13001715031 · [email protected]
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凯试(上海)科技有限公司021-50135380 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
凯美赛尔生物医药有限公司020-13556033878 2965585218 13556033878 · [email protected]
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玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
南京维奥化工有限公司Please Send Email 18652950785 · [email protected]
南京化学试剂股份有限公司025-58369808 17895012682 · [email protected]
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TCI Europe320-37350700 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
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日照力德士化工有限公司010-51268198 · [email protected]
北京奥秘佳得医药科技有限公司+86-13522808617 · [email protected]
美岚实业（上海）有限公司021-58958189 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
上海爱蝶实业有限公司021-58957966 18930537195 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
广拓化学（上海）有限公司021-60899189-8001 18918189673 · [email protected]
湖南华腾制药有限公司400-8592883 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
上海孚一生物科技有限公司+86 (21) 61124340
吉林中科研伸科技有限公司0431-80534353 19917294565 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
TargetMol中国（陶术生物）021-021-33632979 15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
Standardpharm Co. Ltd.86-714-3992388 · [email protected]
Additional notes
DefinitionChEBI: A pyridinecarboxamide that is the monocarboxylic acid amide derivative of picolinic acid.
Related reactions
44 records
Compound notes
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