5-Chloro-1H-pyrrolo[2,3-C]pyridine-2-carboxylic acid

C₈H₅ClN₂O₂CAS 800401-68-7196.59 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₈H₅ClN₂O₂
Molar mass: 196.59 g/mol
Exact mass: 196.0040 Da
logP: 1.91Crippen estimate
Polar surface area: 66.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Identifiers

CAS number

800401-68-7

SMILES

O=C(O)c1cc2cc(Cl)ncc2[nH]1

InChIKey

MIJRRMLODIKPEA-UHFFFAOYSA-N

InChI

InChI=1S/C8H5ClN2O2/c9-7-2-4-1-5(8(12)13)11-6(4)3-10-7/h1-3,11H,(H,12,13)

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

Names and synonyms

1 names

1H-Pyrrolo[2,3-c]pyridine-2-carboxylic acid, 5-chloro-

Work with 5-Chloro-1H-pyrrolo[2,3-C]pyridine-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

5-Chloro-1H-indole-2-carboxylic acid10517-21-256 % similar 1H-Pyrrolo[2,3-C]pyridine-2-carboxylic acid24334-20-156 % similar Indole-2-carboxylic acid1477-50-554 % similar 6-Chloro-1H-indole-2-carboxylic acid16732-75-552 % similar Indole-2,5-dicarboxylic acid117140-77-951 % similar 5-Hydroxyindole-2-carboxylic acid21598-06-150 % similar 7-Chloro-1H-indole-2-carboxylic acid28899-75-450 % similar 5-Methylindole-2-carboxylic acid10241-97-149 % similar

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

Same formula

7-Chloro-1H-indazole-3-carboxylic acid129295-32-5

Elsewhere

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