5-Methylnicotinic acid
Properties
- Molecular formula
- C7H7NO2
- Molar mass
- 137.14 g/mol
- Exact mass
- 137.0477 Da
- Melting point
- 215 °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 irritation98.1% of notifiers
- H319 Causes serious eye irritation96.2% of notifiers
- H335 May cause respiratory irritation90.4% of notifiers
Aggregated from 52 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
3222-49-9SMILES
Cc1cncc(C(=O)O)c1InChIKey
DJDHHXDFKSLEQY-UHFFFAOYSA-NInChI
InChI=1S/C7H7NO2/c1-5-2-6(7(9)10)4-8-3-5/h2-4H,1H3,(H,9,10)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- 3-Pyridinecarboxylic acid, 5-methyl-
- Nicotinic acid, 5-methyl-
- 5-Methyl-3-pyridinecarboxylic acid
- 3-Picoline-5-carboxylic acid
- NSC 82649
Work with 5-Methylnicotinic acid
Similar compounds
Dinicotinic acid499-81-070 % similar
3,5-Dimethylbenzoic acid499-06-962 % similar
Uvitic acid499-49-062 % similar
5-Bromonicotinic acid20826-04-459 % similar
5-Hydroxynicotinic acid27828-71-359 % similar
5-Chloronicotinic acid22620-27-558 % similar
5-Aminonicotinic acid24242-19-158 % similar
5-Fluoronicotinic acid402-66-458 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.