4-Chloro-7-azaindole

C₇H₅ClN₂CAS 55052-28-3152.58 g/mol

Open in Covalent MOL file

Aryl halide

Properties

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

Hazards

Danger

H301 Toxic if swallowed92.3% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage94.2% of notifiers
H335 May cause respiratory irritation98.1% of notifiers

Aggregated from 52 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

55052-28-3

SMILES

C1=CNC2=NC=CC(=C21)Cl

InChIKey

HNTZVGMWXCFCTA-UHFFFAOYSA-N

InChI

InChI=1S/C7H5ClN2/c8-6-2-4-10-7-5(6)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

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

Work with 4-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

4-Methyl-1H-pyrrolo(2,3-b)pyridine824-24-860 % similar 4-Iodo-7-azaindole319474-34-555 % similar 4-Bromo-1H-pyrrolo[2,3-b]pyridine348640-06-255 % similar 4-Chloro-1H-pyrazolo[3,4-b]pyridine29274-28-053 % similar 3-Chloro-7-azaindole80235-01-453 % similar 4,6-Dichloro-1H-pyrrolo[2,3-b]pyridine5912-18-552 % similar 4-Methoxy-1H-pyrrolo(2,3-b)pyridine122379-63-950 % similar 1H-Pyrrolo(2,3-b)pyridine-4-carbonitrile344327-11-350 % 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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