4-Chloro-3-methyl-1H-pyrrolo[2,3-B]pyridine

C₈H₇ClN₂CAS 688782-02-7166.61 g/mol

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Properties

Molecular formula: C₈H₇ClN₂
Molar mass: 166.61 g/mol
Exact mass: 166.0298 Da
logP: 2.52Crippen estimate
Polar surface area: 28.7 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

688782-02-7

SMILES

Cc1c[nH]c2nccc(Cl)c12

InChIKey

PMHDZZGHIUEOIO-UHFFFAOYSA-N

InChI

InChI=1S/C8H7ClN2/c1-5-4-11-8-7(5)6(9)2-3-10-8/h2-4H,1H3,(H,10,11)

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Names and synonyms

1 names

1H-Pyrrolo[2,3-b]pyridine, 4-chloro-3-methyl-

Work with 4-Chloro-3-methyl-1H-pyrrolo[2,3-B]pyridine

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

3-Bromo-4-chloro-1H-pyrrolo[2,3-B]pyridine1000340-39-560 % similar 4-Chloro-3-fluoro-1H-pyrrolo[2,3-B]pyridine1211582-49-860 % similar 3-Methyl-1H-pyrrolo[2,3-B]pyridine5654-93-347 % similar 3,4-Dibromo-7-azaindole1000340-33-941 % similar 4,5-Dichloro-7H-pyrrolo[2,3-D]pyrimidine115093-90-839 % similar 2,4-Dichloro-3-methylpyridine132097-09-739 % similar 7-Chloro-1H-pyrrolo[3,2-B]pyridine357263-48-037 % similar 3-Chloro-4-methylpyridine72093-04-036 % similar

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

Same formula

2-Chloro-3-cyano-4,6-dimethylpyridine14237-71-9 5-Chloro-2-methylbenzimidazole2818-69-1 2-(Chloromethyl)benzimidazole4857-04-9

Elsewhere

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