chempirical

3,5-Dimethylpyrrole-2-carboxylic acid

C7H9NO2CAS 4513-93-3139.15 g/mol

Open in Covalent MOL file
NHOOH
Carboxylic acid

Properties

Molecular formula
C7H9NO2
Molar mass
139.15 g/mol
Exact mass
139.0633 Da
logP
1.33Crippen estimate
Polar surface area
53.1 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
4513-93-3
SMILES
CC1=CC(=C(N1)C(=O)O)C
InChIKey
XQGVQRPSTODODM-UHFFFAOYSA-N
InChI
InChI=1S/C7H9NO2/c1-4-3-5(2)8-6(4)7(9)10/h3,8H,1-2H3,(H,9,10)

Weigh it out

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

Names and synonyms

1 names
  • 3,5-Dimethyl-1H-pyrrole-2-carboxylic acid

Work with 3,5-Dimethylpyrrole-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

2,5-Dimethylpyrrole-3-carboxylic acid57338-76-853 % similar Ethyl 3,5-dimethyl-1H-pyrrole-2-carboxylate2199-44-250 % similar 5-Methyl-1H-pyrazole-3-carboxylic acid402-61-950 % similar 2,5-Dimethylterephthalic acid6051-66-748 % similar 4,6-Dimethylisophthalic acid2790-09-247 % similar 2,4-Dihydroxy-6-methylpyridine-3-carboxylic acid846557-80-046 % similar 2,4,5-Trimethylbenzoic acid528-90-545 % similar 2,4,6-Trimethylbenzoic acid480-63-744 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Methoxy-3-pyridinemethanol112197-16-7 2,6-Pyridinedimethanol1195-59-1 4-Pyridinemethanol,2-methoxy-(9ci)123148-66-3 (5-Methoxypyridin-2-yl)methanol127978-70-5 Ethyl 1-cyanocyclopropanecarboxylate1558-81-2 5-Amino-2-methoxyphenol1687-53-2 Ammonium benzoate1863-63-4 (1R,5S)-6,6-Dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione194421-56-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook