chempirical

Pyrrole-2-carboxylic acid

C5H5NO2CAS 634-97-9111.10 g/mol

Open in Covalent MOL file
OHOHN
Carboxylic acid

Properties

Molecular formula
C5H5NO2
Molar mass
111.10 g/mol
Exact mass
111.0320 Da
Melting point
206 °C (decomposes)
logP
0.71Crippen estimate
Polar surface area
53.1 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
1

Identifiers

CAS number
634-97-9
SMILES
O=C(O)c1ccc[nH]1
InChIKey
WRHZVMBBRYBTKZ-UHFFFAOYSA-N
InChI
InChI=1S/C5H5NO2/c7-5(8)4-2-1-3-6-4/h1-3,6H,(H,7,8)

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Names and synonyms

6 names
  • 1H-Pyrrole-2-carboxylic acid
  • Minaline
  • Minalin
  • 2-Minaline
  • 2-Mialine
  • NSC 48130

Work with 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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Acetylpyrrole1072-83-952 % similar 2-Benzoylpyrrole7697-46-348 % similar Methyl 2-pyrrolecarboxylate1193-62-047 % similar 1H-Imidazole-5-carboxylic acid1072-84-045 % similar Hemimellitic acid569-51-745 % similar Phthalic acid88-99-344 % similar Indole-2-carboxylic acid1477-50-544 % similar 2,6-Dihydroxybenzoic acid303-07-143 % 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 3-Hydroxypyridine N-oxide6602-28-4

Elsewhere

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