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

C8H7ClN2CAS 688782-02-7166.61 g/mol

Open in Covalent MOL file
NHNCl
Aryl halide

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

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)

Weigh it out

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Names and synonyms

2 names
  • 1H-Pyrrolo[2,3-b]pyridine, 4-chloro-3-methyl-
  • 4-Chloro-3-methyl-7-azaindole

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

4-Chloro-3-iodo-1H-pyrrolo[2,3-B]pyridine869335-73-965 % similar 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 4-Chloro-1H-pyrrolo(2,3-b)pyridine-3-carbaldehyde918515-16-955 % similar 4-Chloro-5-methyl-7H-pyrrolo(2,3-d)pyrimidine1618-36-653 % similar 3-Methyl-1H-pyrrolo[2,3-b]pyridine5654-93-347 % similar 4-Chloro-7-azaindole55052-28-344 % similar 3-Chloro-7-azaindole80235-01-443 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-3-cyano-4,6-dimethylpyridine14237-71-9 4-Amino-3-chloro-5-methylbenzonitrile158296-69-6 5-Chloro-2-methylbenzimidazole2818-69-1 2-Chloromethylbenzimidazole4857-04-9 2-(Chloromethyl)imidazo[1,2-A]pyridine57892-76-9 7-Chloro-2-methyl-1H-pyrrolo[2,3-C]pyridine874013-97-5

Elsewhere

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