Basic information
- CAS
4021-07-2- Standard SMILES
Cc1cccnc1C(=O)O- InChIKey
LMHIBYREWJHKNZ-UHFFFAOYSA-N- Molecular formula
- C7H7NO2
- Average molar mass
- 137.14 g/mol
- Monoisotopic mass
- 137.04767846
Overview
3-Methylpicolinic acid is a member of pyridines and an aromatic carboxylic acid.
Names & identifiers
- Preferred name
- 3-Methylpicolinic acid
- IUPAC
- 3-methylpyridine-2-carboxylic acid
- English name
- 3-Methylpyridine-2-carboxylic acid
- Molecular formula
- C7H7NO2
- Molecular weight
- 137.14
Names & synonyms
3-Methylpicolinic acid4021-07-2DTXSID20296408RefChem:94954DTXCID702475463-Methylpyridine-2-carboxylic acid3-methyl-2-pyridinecarboxylic acidMFCD001915532-Pyridinecarboxylic acid, 3-methyl-3-METHYL-2-PICOLINIC ACIDSCHEMBL130171CHEBI:194858
Show more names
MethylpicolinicacidRARECHEM AL BO 08273-Methylpicoline Acid3-METHYL-A-PICOLINIC ACID3-Methylpicolinic acid,98%3-METHYLPICOLINIC ACID 97%3-METHYL-ALPHA-PICOLINIC ACID3-METHYL-2-CARBOXYLIC ACID PYRI
3-methyl-pyridine-2-carboxylic acid3-MethylpicolinicAcidNSC109145Methylpyridincarbonsaure3-methyl picolinic acidMethylpyridinecarboxylic acid3-Methylpyridine-2-carboxyliSCHEMBL130170
Database identifiers
- CAS
4021-07-2- PubChem CID
- 268757
- DTXSID
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 136
Physicochemical properties
- Melting point
- 114 · 114-118 °C
- Boiling point
- 300.6 · 300.6±22.0 °C(Predicted)
- Density
- 1.23 · 1.230±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 1.11 · 1.11±0.50(Predicted)
- form
- Crystalline Powder
- color
- White to tan
- InChI
- InChI=1S/C7H7NO2/c1-5-3-2-4-8-6(5)7(9)10/h2-4H,1H3,(H,9,10)
- InChIKey
- LMHIBYREWJHKNZ-UHFFFAOYSA-N
- SMILES
- C1(C(O)=O)=NC=CC=C1C
- CAS DataBase Reference
- 4021 · 4021-07-2(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (18.9%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 53 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (18.9%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29333990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- 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
Applications
Uses3-Methylpyridine-2-carboxylic acid (3-MepicH) may be used as a ligand in the synthesis of the following metal complexes:[Cu(3-Mepic)2(4-pic)] where 4-pic=4-picoline and [Cu(3-Mepic)2]·2H2O[Co(3-Mepic)3][Ni(3-Mepic)2(H2O)2]bis(3-methyl-picolinato-κ2 N,O)(1,10-phenanthroline)zinc(II) tetrahydrate
General Description3-Methylpyridine-2-carboxylic acid, also known as 3-methylpicolinic acid (3-MepicH), is a 3-substituted picolinic acid. The dianion formed by reacting 3-MepicH with lithium diisopropylamide (LDA) can undergo C-alkylation with 3-chlorobenzyl chloride.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
Related reactions
44 records
Compound notes
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