Basic information
- CAS
3167-49-5- Standard SMILES
Nc1ccc(C(=O)O)cn1- InChIKey
ZCIFWRHIEBXBOY-UHFFFAOYSA-N- Molecular formula
- C6H6N2O2
- Average molar mass
- 138.12 g/mol
- Monoisotopic mass
- 138.04292744
Names & identifiers
- Preferred name
- 6-Aminonicotinic acid
- IUPAC
- 6-aminopyridine-3-carboxylic acid
- English name
- 6-Aminonicotinic acid
- Molecular formula
- C6H6N2O2
- Molecular weight
- 138.12
Names & synonyms
6-Aminonicotinic acid3167-49-56-Aminopyridine-3-carboxylic acid3-Pyridinecarboxylic acid, 6-amino-2-Amino-5-pyridinecarboxylic acidNicotinic acid, 6-amino-9VR2O1OK60CHEBI:68583NSC-229361DTXSID6062882RefChem:104207DTXCID6038401
Show more names
6- aMinoacid6-AMinonicotinic aTIMTEC-BB SBB004186RARECHEM AL BO 11676-Aminonicotinc Acid
221-630-46-amino-nicotinic acid6-Amino Nicotinic AcidMFCD000063266-AMINO-3-PYRIDINECARBOXYLIC ACIDCHEMBL33228642-aminopyridine-5-carboxylic acid6-Aminonicotinicacid
Database identifiers
- CAS
3167-49-5- PubChem CID
- 18496
- DTXSID
DTXSID6062882- ChEMBL
CHEMBL3322864- ChEBI
CHEBI:68583- UNII
- 9VR2O1OK60
- EC Number
- 221-630-4
- Nikkaji
- J80.655B
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 76.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Melting point
- 300 °C · >300 °C (lit.)
- Boiling point
- 253.51 °C · 253.51°C (rough estimate)
- Density
- 1.3471 · 1.3471 (rough estimate)
- refractive index
- 1.51 · 1.5100 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 2.86 · 2.86±0.10(Predicted)
- form
- Powder
- color
- White to beige
- Water Solubility
- 1 g/L · ca 1.0 g/L (20 ºC)
- Merck
- 14 · 14,456
- BRN
- 115992 · 115992
- InChI
- InChI=1S/C6H6N2O2/c7-5-2-1-4(3-8-5)6(9)10/h1-3H,(H2,7,8)(H,9,10)
- InChIKey
- ZCIFWRHIEBXBOY-UHFFFAOYSA-N
- SMILES
- C1=NC(N)=CC=C1C(O)=O
- CAS DataBase Reference
- 3167 · 3167-49-5(CAS DataBase Reference)
- FDA UNII
- 9 VR2O1OK60 · 9VR2O1OK60
- NIST Chemistry Reference
- 6 · Nicotinic acid, 6-amino-(3167-49-5)
- EPA Substance Registry System
- 3 · 3-Pyridinecarboxylic acid, 6-amino- (3167-49-5)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Hazard Codes
- Xi,T
- Risk Statements
- 36 · 36/37/38-23/24/25
- Safety Statements
- 22 · 22-24/25-45-36/37/39-26
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HazardClass
- IRRITANT
- HS Code
- 29333990 · 29333990
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (87.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (87.5%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29333990
- risk_code
- 36/37/38-23/24/25
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,T
- safety_code
- 22-24/25-45-36/37/39-26
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3-Pyridinecarboxylic acid, 6-amino-: INACTIVE
Applications
UsesAntiproliferative
Uses6-Aminopyridine-3-carboxylic acid (6-Aminonicotinic acid) was used in the preparation of resin-bound 2-aminoazine.
General DescriptionElectrosynthesis of 6-aminopyridine-3-carboxylic acid (6-aminonicotinic acid) by electrochemical reduction of 2-amino-5-bromo and 2-amino-5-chloropyridine in the presence of CO2 at silver electrode has been reported.
Upstream & downstream products
Upstream raw materials
Downstream products
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Additional notes
DefinitionChEBI: An aminonicotinic acid in which the amino group is situated at position 6 of the pyridine ring.
Related reactions
180 records
Compound notes
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