6-Chloronicotinonitrile

C₆H₃ClN₂CAS 33252-28-7138.55 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₆H₃ClN₂
Molar mass: 138.55 g/mol
Exact mass: 137.9985 Da
Melting point: 115 °C
logP: 1.61Crippen estimate
Polar surface area: 36.7 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled37.2% of notifiers
H302 Harmful if swallowed97.4% of notifiers
H312 Harmful in contact with skin91% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled47.4% of notifiers
H335 May cause respiratory irritation98.7% of notifiers

Aggregated from 78 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

33252-28-7

SMILES

N#Cc1ccc(Cl)nc1

InChIKey

ORIQLMBUPMABDV-UHFFFAOYSA-N

InChI

InChI=1S/C6H3ClN2/c7-6-2-1-5(3-8)4-9-6/h1-2,4H

Weigh it out

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

Names and synonyms

10 names

3-Pyridinecarbonitrile, 6-chloro-
Nicotinonitrile, 6-chloro-
6-Chloro-3-pyridinecarbonitrile
2-Chloro-5-cyanopyridine
2-Chloro-5-pyridinecarbonitrile
6-Chloro-3-cyanopyridine
5-Cyano-2-chloropyridine
6-Chloronicotinitrile
6-Chloropyridin-3-nitrile
6-Chloropyridin-3-carbonitrile

Work with 6-Chloronicotinonitrile

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

[2,2′-Bipyridine]-5,5′-dicarbonitrile1802-29-559 % similar 2-Fluoropyridine-5-carbonitrile3939-12-659 % similar 2-Bromo-5-cyanopyridine139585-70-953 % similar 5-Cyano-2-methylpyridine3222-48-853 % similar 2-Chloro-5-cyanopyrazine36070-75-450 % similar 2-Methoxy-5-pyridinecarbonitrile15871-85-948 % similar 5-Cyano-2-(trifluoromethyl)pyridine216431-85-548 % similar 2-(6-Chloropyridin-3-yl)acetonitrile39891-09-348 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Chloro-2-cyanopyridine19235-89-3 6-Chloro-2-pyridinecarbonitrile33252-29-8 2-Chloro-4-cyanopyridine33252-30-1 3-Chloropyridine-2-carbonitrile38180-46-0 2-Chloro-3-cyanopyridine6602-54-6 3-Chloro-4-cyanopyridine68325-15-5 4-Chloro-nicotinonitrile89284-61-7 5-Chloro-2-pyridinecarbonitrile89809-64-3

Elsewhere

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