2,6-Dichloro-4-methyl-3-pyridinecarbonitrile

C₇H₄Cl₂N₂CAS 875-35-4187.02 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₇H₄Cl₂N₂
Molar mass: 187.02 g/mol
Exact mass: 185.9752 Da
Melting point: 110–110.5 °C
Boiling point: 116–118 °C (at 5 Torr)
logP: 2.57Crippen estimate
Polar surface area: 36.7 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed87% of notifiers
H312 Harmful in contact with skin95.7% of notifiers
H315 Causes skin irritation97.8% of notifiers
H317 May cause an allergic skin reaction84.8% of notifiers
H318 Causes serious eye damage87% of notifiers
H319 Causes serious eye irritation10.9% of notifiers
H332 Harmful if inhaled95.7% of notifiers
H335 May cause respiratory irritation95.7% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

875-35-4

SMILES

Cc1cc(Cl)nc(Cl)c1C#N

InChIKey

LSPMHHJCDSFAAY-UHFFFAOYSA-N

InChI

InChI=1S/C7H4Cl2N2/c1-4-2-6(8)11-7(9)5(4)3-10/h2H,1H3

Weigh it out

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

Names and synonyms

7 names

3-Pyridinecarbonitrile, 2,6-dichloro-4-methyl-
Nicotinonitrile, 2,6-dichloro-4-methyl-
3-Cyano-2,6-dichloro-4-methylpyridine
2,6-Dichloro-3-cyano-4-methylpyridine
2,6-Dichloro-4-methylnicotinonitrile
Dicnil
NSC 19881

Work with 2,6-Dichloro-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

2-Chloro-3-cyano-4,6-dimethylpyridine14237-71-970 % similar 2,6-Dichloro-4-(trifluoromethyl)nicotinonitrile13600-42-555 % similar 2-Chloro-4-methyl-3-pyridinecarbonitrile65169-38-253 % similar 6-Chloro-4-methyl-3-pyridinecarbonitrile66909-35-149 % similar 2,6-Dichloro-4-methyl-3-pyridinecarboxamide38841-54-248 % similar 2,6-Dichloro-4-methylpyridine-3-carboxylic acid62774-90-748 % similar 2,4,6-Trimethylbenzonitrile2571-52-045 % similar 2,6-Dichloroisonicotinonitrile32710-65-945 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Amino-3,5-dichlorobenzonitrile36764-94-0 4,6-Dichloro-1H-pyrrolo[2,3-b]pyridine5912-18-5 5,6-Dichlorobenzimidazole6478-73-5 4,6-Dichloro-1H-pyrrolo[3,2-c]pyridine67139-79-1 4-Amino-3,5-dichlorobenzonitrile78473-00-4

Elsewhere

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