4-Methylnicotinic acid
Properties
- Molecular formula
- C7H7NO2
- Molar mass
- 137.14 g/mol
- Exact mass
- 137.0477 Da
- Melting point
- 215–216 °C
- logP
- 1.09Crippen estimate
- Polar surface area
- 50.2 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
3222-50-2SMILES
Cc1ccncc1C(=O)OInChIKey
ZKUZSTXNVMIDCY-UHFFFAOYSA-NInChI
InChI=1S/C7H7NO2/c1-5-2-3-8-4-6(5)7(9)10/h2-4H,1H3,(H,9,10)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- NSC 22592
- 3-Pyridinecarboxylic acid, 4-methyl-
- Nicotinic acid, 4-methyl-
- 4-Methyl-3-pyridinecarboxylic acid
- Homonicotinic acid
- 4-Picoline-3-carboxylic acid
Work with 4-Methylnicotinic acid
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
3-Methyl-isonicotinic acid4021-12-980 % similar
Cinchomeronic acid490-11-967 % similar
4-Chloronicotinic acid10177-29-459 % similar
4-Bromopyridine-3-carboxylic acid15366-62-859 % similar
o-Toluic acid118-90-156 % similar
3-Hydroxy-4-pyridinecarboxylic acid10128-71-956 % similar
3-Bromoisonicotinic acid13959-02-954 % similar
3-Fluoropyridine-4-carboxylic acid393-53-354 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.