1-Methyl-1H-pyrrole-2-carboxylic acid

C6H7NO2CAS 6973-60-0125.13 g/mol

Open in Covalent MOL file
NOHO
Carboxylic acid

Properties

Molecular formula
C6H7NO2
Molar mass
125.13 g/mol
Exact mass
125.0477 Da
Melting point
135–136 °C
Boiling point
135–137 °C
logP
0.72Crippen estimate
Polar surface area
42.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 10 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
6973-60-0
SMILES
Cn1cccc1C(=O)O
InChIKey
ILAOVOOZLVGAJF-UHFFFAOYSA-N
InChI
InChI=1S/C6H7NO2/c1-7-4-2-3-5(7)6(8)9/h2-4H,1H3,(H,8,9)

Weigh it out

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

Names and synonyms

6 names
  • 1H-Pyrrole-2-carboxylic acid, 1-methyl-
  • Pyrrole-2-carboxylic acid, 1-methyl-
  • N-Methyl-2-pyrrolecarboxylic acid
  • 1-Methyl-2-pyrrolecarboxylic acid
  • NSC 40289
  • N-Methyl-2-pyrrolcarboxylic acid

Work with 1-Methyl-1H-pyrrole-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Acetyl-1-methylpyrrole932-16-158 % similar 1-Methyl-1H-pyrrole-2-carbonyl chloride26214-68-656 % similar 2-Trichloroacetyl-1-methylpyrrole21898-65-753 % similar Methyl 1-methylpyrrole-2-carboxylate37619-24-253 % similar 1-Methyl-1H-imidazole-5-carboxylic acid41806-40-050 % similar 1-Methyl-1H-pyrrole-2-acetic acid21898-59-947 % similar 1-Methyl-1H-indole-2-carboxylic acid16136-58-646 % similar 1-Methyl-1H-pyrazole-5-carboxylic acid16034-46-146 % 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 4-Methylpyrrole-2-carboxylic acid18711-59-6 3-Methoxy-2(1H)-pyridinone20928-63-6 2-Aminoresorcinol3163-15-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook