2-Methylpyridine-4-carboxylic acid

C7H7NO2CAS 4021-11-8137.14 g/mol

Open in Covalent MOL file
NOOH
Carboxylic acid

Properties

Molecular formula
C7H7NO2
Molar mass
137.14 g/mol
Exact mass
137.0477 Da
logP
1.09Crippen estimate
Polar surface area
50.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 45 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
4021-11-8
SMILES
CC1=NC=CC(=C1)C(=O)O
InChIKey
PMDHIMMPXRSDML-UHFFFAOYSA-N
InChI
InChI=1S/C7H7NO2/c1-5-4-6(7(9)10)2-3-8-5/h2-4H,1H3,(H,9,10)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • 2-Methylisonicotinic acid

Work with 2-Methylpyridine-4-carboxylic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,2'-Bipyridine-4,4'-dicarboxylic acid6813-38-365 % similar Lutidinic acid499-80-963 % similar 2,6-Dimethylisonicotinic acid54221-93-161 % similar 4′-Methyl[2,2′-bipyridine]-4-carboxylic acid103946-54-961 % similar 2-Fluoroisonicotinic acid402-65-361 % similar 2-Aminopyridine-4-carboxylic acid13362-28-259 % similar 2-Iodo-isonicotinic acid58481-10-059 % similar 2-Chloroisonicotinic acid6313-54-859 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Anthranilic acid118-92-3 Benzodioxol-5-amine14268-66-7 4-Aminobenzoic acid150-13-0 3-Acetoxypyridine17747-43-2 5-Methoxypicolinaldehyde22187-96-8 Methyl picolinate2459-07-6 Methyl isonicotinate2459-09-8 4-Pyridineacetic acid28356-58-3

Elsewhere

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