2-Chloro-3-pyridineacetonitrile

C₇H₅ClN₂CAS 101012-32-2152.58 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₇H₅ClN₂
Molar mass: 152.58 g/mol
Exact mass: 152.0141 Da
Melting point: 85–86 °C
logP: 1.80Crippen estimate
Polar surface area: 36.7 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

101012-32-2

SMILES

N#CCc1cccnc1Cl

InChIKey

DMWOJKQPJYWCCB-UHFFFAOYSA-N

InChI

InChI=1S/C7H5ClN2/c8-7-6(3-4-9)2-1-5-10-7/h1-2,5H,3H2

Weigh it out

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

Names and synonyms

4 names

3-Pyridineacetonitrile, 2-chloro-
2-Chloro-3-cyanomethylpyridine
(2-Chloropyridin-3-yl)acetonitrile
2-(2-Chloropyridin-3-yl)acetonitrile

Work with 2-Chloro-3-pyridineacetonitrile

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-Chloro-3-pyridinemethanol42330-59-655 % similar 1,2-Benzenediacetonitrile613-73-054 % similar (2-Chlorophenyl)acetonitrile2856-63-553 % similar 2-Pyridineacetonitrile2739-97-148 % similar 1-Naphthaleneacetonitrile132-75-247 % similar (2-Bromophenyl)acetonitrile19472-74-345 % similar 2-Methylphenylacetonitrile22364-68-744 % similar 2-Aminobenzeneacetonitrile2973-50-444 % similar

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

Same formula

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 3-Chloroindazole29110-74-5 7-Chloro-1H-pyrrolo[2,3-C]pyridine357263-41-3 7-Chloro-1H-pyrrolo[3,2-B]pyridine357263-48-0

Elsewhere

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