chempirical

1H-Indole-5-carboxylic acid

C9H7NO2CAS 1670-81-1161.16 g/mol

Open in Covalent MOL file
OHONH
Carboxylic acid

Properties

Molecular formula
C9H7NO2
Molar mass
161.16 g/mol
Exact mass
161.0477 Da
Melting point
208–209 °C
logP
1.87Crippen estimate
Polar surface area
53.1 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
1

Identifiers

CAS number
1670-81-1
SMILES
O=C(O)c1ccc2[nH]ccc2c1
InChIKey
IENZCGNHSIMFJE-UHFFFAOYSA-N
InChI
InChI=1S/C9H7NO2/c11-9(12)7-1-2-8-6(5-7)3-4-10-8/h1-5,10H,(H,11,12)

Weigh it out

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

Names and synonyms

2 names
  • Indole-5-carboxylic acid
  • 5-Carboxyindole

Work with 1H-Indole-5-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

1H-Indole-6-carboxylic acid1670-82-275 % similar 2,6-Naphthalenedicarboxylic acid1141-38-460 % similar 1-(1H-Indol-5-yl)ethanone53330-94-260 % similar Indole-2,5-dicarboxylic acid117140-77-958 % similar Methyl indole-5-carboxylate1011-65-055 % similar 2-Naphthoic acid93-09-453 % similar 2-Anthracenecarboxylic acid613-08-151 % similar 6-Hydroxy-2-naphthoic acid16712-64-450 % 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 Indole-2-carboxylic acid1477-50-5 8-Hydroxy-1H-quinolin-2-one15450-76-7 3-Aminocoumarin1635-31-0

Elsewhere

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