4-Methylpyrrole-2-carboxylic acid

C6H7NO2CAS 18711-59-6125.13 g/mol

Open in Covalent MOL file
NHOOH
Carboxylic acid

Properties

Molecular formula
C6H7NO2
Molar mass
125.13 g/mol
Exact mass
125.0477 Da
logP
1.02Crippen estimate
Polar surface area
53.1 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 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
18711-59-6
SMILES
CC1=CNC(=C1)C(=O)O
InChIKey
YXYAHRAFINYJPL-UHFFFAOYSA-N
InChI
InChI=1S/C6H7NO2/c1-4-2-5(6(8)9)7-3-4/h2-3,7H,1H3,(H,8,9)

Weigh it out

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

Names and synonyms

1 names
  • 4-Methyl-1H-pyrrole-2-carboxylic acid

Work with 4-Methylpyrrole-2-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

4-Hydroxypyridine-2-carboxylic acid22468-26-452 % similar Ethyl 4-methyl-1H-pyrrole-2-carboxylate40611-85-650 % similar 3,5-Dimethylbenzoic acid499-06-950 % similar Uvitic acid499-49-050 % similar 5-Methylindole-2-carboxylic acid10241-97-149 % similar Pyrrole-2-carboxylic acid634-97-948 % similar 4-Hydroxy-6-methyl-nicotinic acid67367-33-347 % similar 1H-Imidazole-5-carboxylic acid1072-84-047 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Cyanoethyl acrylate106-71-8 4-Methoxypyridine N-oxide1122-96-9 Methyl 2-pyrrolecarboxylate1193-62-0 N-Ethylmaleimide128-53-0 2-Propen-1-yl 2-cyanoacetate13361-32-5 3-Methoxy-2(1H)-pyridinone20928-63-6 2-Aminoresorcinol3163-15-3 4-Hydroxy-6-methyl-2(1H)-pyridinone3749-51-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook