7-Chloro-1H-pyrrolo[2,3-c]pyridine

C₇H₅ClN₂CAS 357263-41-3152.58 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₇H₅ClN₂
Molar mass: 152.58 g/mol
Exact mass: 152.0141 Da
Melting point: 123–124 °C
logP: 2.22Crippen estimate
Polar surface area: 28.7 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed84.4% of notifiers
H315 Causes skin irritation15.6% of notifiers
H318 Causes serious eye damage84.4% of notifiers
H319 Causes serious eye irritation15.6% of notifiers
H335 May cause respiratory irritation15.6% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

357263-41-3

SMILES

Clc1nccc2cc[nH]c12

InChIKey

HOHKYYCVFMEBGG-UHFFFAOYSA-N

InChI

InChI=1S/C7H5ClN2/c8-7-6-5(1-3-9-6)2-4-10-7/h1-4,9H

Weigh it out

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

Names and synonyms

2 names

1H-Pyrrolo[2,3-c]pyridine, 7-chloro-
7-Chloro-6-azaindole

Work with 7-Chloro-1H-pyrrolo[2,3-c]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

7-Methoxy-6-azaindole160590-40-950 % similar 4-Chloro-1H-pyrrolo[3,2-c]pyridine60290-21-350 % similar 4-Chloro-5H-pyrrolo[3,2-D] pyrimidine84905-80-650 % similar 7-Chloro-2-methyl-1H-pyrrolo[2,3-C]pyridine874013-97-549 % similar 7-Chloro-1H-pyrrolo[3,2-b]pyridine357263-48-045 % similar 7-Chloroindole53924-05-345 % similar 1-Chloroisoquinoline19493-44-844 % similar 2,4-Dichloro-5H-pyrrolo[3,2-D]pyrimidine63200-54-441 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-3-pyridineacetonitrile101012-32-2 6-Chloro-1H-pyrrolo[3,2-b]pyridine1021339-19-4 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

Elsewhere

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