chempirical

6-Chloro-1H-indole-2-carboxylic acid

C9H6ClNO2CAS 16732-75-5195.60 g/mol

Open in Covalent MOL file
OOHClNH
Aryl halideCarboxylic acid

Properties

Molecular formula
C9H6ClNO2
Molar mass
195.60 g/mol
Exact mass
195.0087 Da
Melting point
248–249 °C
logP
2.52Crippen estimate
Polar surface area
53.1 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
1

Identifiers

CAS number
16732-75-5
SMILES
O=C(O)c1cc2ccc(Cl)cc2[nH]1
InChIKey
BKPSJOSKWKTWAG-UHFFFAOYSA-N
InChI
InChI=1S/C9H6ClNO2/c10-6-2-1-5-3-8(9(12)13)11-7(5)4-6/h1-4,11H,(H,12,13)

Weigh it out

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

Names and synonyms

4 names
  • 1H-Indole-2-carboxylic acid, 6-chloro-
  • Indole-2-carboxylic acid, 6-chloro-
  • 6-Chloroindole-2-carboxylic acid
  • 2-Carboxy-6-chloroindole

Work with 6-Chloro-1H-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

7-Chlorokynurenic acid18000-24-365 % similar 6-Bromo-1H-indole-2-carboxylic acid16732-65-363 % similar Indole-2-carboxylic acid1477-50-561 % similar 6-(Trifluoromethyl)-1H-indole-2-carboxylic acid327-20-859 % similar 4,6-Dichloro-1H-indole-2-carboxylic acid101861-63-657 % similar 1H-Pyrrolo[2,3-C]pyridine-2-carboxylic acid24334-20-155 % similar Indole-2,5-dicarboxylic acid117140-77-954 % similar 5-Hydroxyindole-2-carboxylic acid21598-06-153 % similar

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

Same formula

5-Chloroindole-3-carboxylic acid10406-05-0 5-Chloro-1H-indole-2-carboxylic acid10517-21-2 2-(Chloromethyl)-1H-isoindole-1,3(2H)-dione17564-64-6 7-Chloro-1H-indole-2-carboxylic acid28899-75-4

Elsewhere

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