chempirical

Pyrrole-3-carboxylic acid

C5H5NO2CAS 931-03-3111.10 g/mol

Open in Covalent MOL file
OHONH
Carboxylic acid

Properties

Molecular formula
C5H5NO2
Molar mass
111.10 g/mol
Exact mass
111.0320 Da
Melting point
161 °C
logP
0.71Crippen estimate
Polar surface area
53.1 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
1

Identifiers

CAS number
931-03-3
SMILES
O=C(O)c1cc[nH]c1
InChIKey
DOYOPBSXEIZLRE-UHFFFAOYSA-N
InChI
InChI=1S/C5H5NO2/c7-5(8)4-1-2-6-3-4/h1-3,6H,(H,7,8)

Weigh it out

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

Names and synonyms

2 names
  • 1H-Pyrrole-3-carboxylic acid
  • 3-Carboxypyrrole

Work with Pyrrole-3-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-Hydroxynicotinic acid609-70-155 % similar Terephthalic acid100-21-054 % similar Benzoic acid65-85-054 % similar 4-Aminonicotinic acid7418-65-753 % similar Isophthalic acid121-91-552 % similar 3-Acetylpyrrole1072-82-852 % similar 6-Aminonicotinic acid3167-49-550 % similar [1,1′-Biphenyl]-4,4′-dicarboxylic acid787-70-248 % similar

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

Same formula

2-Hydroxypyridine N-oxide13161-30-3 2,3-Dihydroxypyridine16867-04-2 2-(Acetyloxy)-2-propenenitrile3061-65-2 5-Hydroxy-2(1H)-pyridinone5154-01-8 2-Furancarboxamide609-38-1 4-Hydroxy-2(1H)-pyridinone626-03-9 2,6-Dihydroxypyridine626-06-2 Pyrrole-2-carboxylic acid634-97-9

Elsewhere

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