3-Chloro-7-azaindole

C₇H₅ClN₂CAS 80235-01-4152.58 g/mol

Open in Covalent MOL file

Aryl halide

Properties

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

Hazards

Danger

H301 Toxic if swallowed97.6% of notifiers
H315 Causes skin irritation97.6% of notifiers
H318 Causes serious eye damage97.6% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 41 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

80235-01-4

SMILES

C1=CC2=C(NC=C2Cl)N=C1

InChIKey

PKFDDUMFTQHVFY-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

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

Work with 3-Chloro-7-azaindole

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-Iodo-7-azaindole23616-57-156 % similar 3-Methyl-1H-pyrrolo[2,3-b]pyridine5654-93-356 % similar 3-Bromo-7-azaindole74420-15-856 % similar 4-Chloro-7-azaindole55052-28-353 % similar 7-Azaindole-3-carbonitrile4414-89-551 % similar 7-Azaindole-3-carboxaldehyde4649-09-651 % similar 1H-Pyrrolo(2,3-b)pyridine-3-carboxylic acid156270-06-347 % similar 3-Nitro-7-azaindole23709-47-947 % 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

PubChem CAS Common Chemistry NIST WebBook