chempirical

Indole-2-carboxylic acid

C9H7NO2CAS 1477-50-5161.16 g/mol

Open in Covalent MOL file
OOHNH
Carboxylic acid

Properties

Molecular formula
C9H7NO2
Molar mass
161.16 g/mol
Exact mass
161.0477 Da
Melting point
205–208 °C
logP
1.87Crippen estimate
Polar surface area
53.1 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
1

Identifiers

CAS number
1477-50-5
SMILES
O=C(O)c1cc2ccccc2[nH]1
InChIKey
HCUARRIEZVDMPT-UHFFFAOYSA-N
InChI
InChI=1S/C9H7NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H,11,12)

Weigh it out

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

Names and synonyms

4 names
  • 1H-Indole-2-carboxylic acid
  • 2-Carboxyindole
  • NSC 16598
  • 2-Indolylformic acid

Work with Indole-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

Indole-2,5-dicarboxylic acid117140-77-965 % similar 5-Hydroxyindole-2-carboxylic acid21598-06-163 % similar 5-Methylindole-2-carboxylic acid10241-97-161 % similar 5-Chloro-1H-indole-2-carboxylic acid10517-21-261 % similar 6-Bromo-1H-indole-2-carboxylic acid16732-65-361 % similar 6-Chloro-1H-indole-2-carboxylic acid16732-75-561 % similar 1H-Pyrrolo[2,3-C]pyridine-2-carboxylic acid24334-20-161 % similar 5-Fluoroindole-2-carboxylic acid399-76-861 % similar

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

Same formula

3-Phenyl-5(4H)-isoxazolone1076-59-1 8-Hydroxyquinoline N-oxide1127-45-3 7-Methylisatin1127-59-9 Methyl 4-cyanobenzoate1129-35-7 Methyl m-cyanobenzoate13531-48-1 8-Hydroxy-1H-quinolin-2-one15450-76-7 3-Aminocoumarin1635-31-0 1H-Indole-5-carboxylic acid1670-81-1

Elsewhere

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