6-Chloro-4-methyl-3-pyridinecarbonitrile

C₇H₅ClN₂CAS 66909-35-1152.58 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: 108–109 °C
logP: 1.92Crippen estimate
Polar surface area: 36.7 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful 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 2 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

66909-35-1

SMILES

Cc1cc(Cl)ncc1C#N

InChIKey

DWLWCFHFMYBZKE-UHFFFAOYSA-N

InChI

InChI=1S/C7H5ClN2/c1-5-2-7(8)10-4-6(5)3-9/h2,4H,1H3

Weigh it out

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

Names and synonyms

4 names

3-Pyridinecarbonitrile, 6-chloro-4-methyl-
2-Chloro-4-methyl-5-pyridinecarbonitrile
6-Chloro-4-methylpyridine-3-carbonitrile
6-Chloro-4-methylnicotinonitrile

Work with 6-Chloro-4-methyl-3-pyridinecarbonitrile

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

4,6-Dichloronicotinonitrile166526-03-063 % similar 2-Bromo-5-cyano-4-picoline1003711-35-059 % similar 6-Chloro-4-methyl-3-pyridinamine66909-38-450 % similar 5-Bromo-2-chloro-4-methylpyridine778611-64-650 % similar 2,6-Dichloro-4-methyl-3-pyridinecarbonitrile875-35-449 % similar 4-Chloro-2-methylbenzonitrile50712-68-049 % similar 2-Chloro-5-cyanopyrazine36070-75-448 % similar 2,4-Dichloro-5-methylpyridine56961-78-548 % 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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