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

C7H5ClN2CAS 1021339-19-4152.58 g/mol

Open in Covalent MOL file
ClNNH
Aryl halide

Properties

Molecular formula
C7H5ClN2
Molar mass
152.58 g/mol
Exact mass
152.0141 Da
logP
2.22Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

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

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, P501

Identifiers

CAS number
1021339-19-4
SMILES
Clc1cnc2cc[nH]c2c1
InChIKey
UWROBKHIEKWFAJ-UHFFFAOYSA-N
InChI
InChI=1S/C7H5ClN2/c8-5-3-7-6(10-4-5)1-2-9-7/h1-4,9H

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Names and synonyms

1 names
  • 1H-Pyrrolo[3,2-b]pyridine, 6-chloro-

Work with 6-Chloro-1H-pyrrolo[3,2-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

6-Bromo-1H-pyrrolo[3,2-b]pyridine944937-53-556 % similar 5-Chlorobenzimidazole4887-82-553 % similar 5-Chloro-7-azaindole866546-07-853 % similar 2-Chloro-5H-pyrrolo[3,2-D]pyrimidine1119280-66-848 % similar 6-Chloroindole17422-33-247 % similar Pyrrolopyrimidine272-50-447 % similar 3-Chloroquinoline612-59-945 % similar 4,6-Dichloro-1H-indole101495-18-544 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-3-pyridineacetonitrile101012-32-2 4-Chloro (1H)indazole13096-96-3 5-Chloro-1H-pyrrolo[2,3-C]pyridine131084-55-4 6-Chloromethyl-2-cyanopyridine135450-23-6 4-Amino-2-chlorobenzonitrile20925-27-3 4-Amino-3-chlorobenzonitrile21803-75-8 2-Chloro-6-methyl-3-pyridinecarbonitrile28900-10-9 3-Chloroindazole29110-74-5

Elsewhere

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