2-(6-Chloropyridin-3-yl)acetonitrile

C₇H₅ClN₂CAS 39891-09-3152.58 g/mol

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Aryl halide Nitrile

Properties

Molecular formula: C₇H₅ClN₂
Molar mass: 152.58 g/mol
Exact mass: 152.0141 Da
Melting point: 48–50 °C
Boiling point: 182 °C (at 1 Torr)
logP: 1.80Crippen estimate
Polar surface area: 36.7 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed98.6% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage98.6% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 69 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

39891-09-3

SMILES

N#CCc1ccc(Cl)nc1

InChIKey

BLGUCBUETMYJTB-UHFFFAOYSA-N

InChI

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

Weigh it out

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Names and synonyms

7 names

6-Chloro-3-pyridineacetonitrile
3-Pyridineacetonitrile, 6-chloro-
6-Chloro-3-pyridylacetonitrile
(6-Chloro-3-pyridinyl)acetonitrile
2-(6-Chloro-3-pyridinyl)acetonitrile
2-Chloro-5-pyridineacetonitrile
2-Chloro-5-(cyanomethyl)pyridine

Work with 2-(6-Chloropyridin-3-yl)acetonitrile

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-5-(chloromethyl)pyridine70258-18-355 % similar (6-Chloropyridin-3-yl)methanol21543-49-753 % similar 6-Chloro-3-pyridinemethanamine97004-04-153 % similar 1,4-Benzenediacetonitrile622-75-352 % similar (4-Chlorophenyl)acetonitrile140-53-452 % similar 6-Chloronicotinonitrile33252-28-748 % similar 3,4-Dichlorobenzeneacetonitrile3218-49-347 % similar 3-Pyridineacetonitrile6443-85-247 % 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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