6-Chloromethyl-2-cyanopyridine

C₇H₅ClN₂CAS 135450-23-6152.58 g/mol

Open in Covalent MOL file

Alkyl halide Nitrile

Properties

Molecular formula: C₇H₅ClN₂
Molar mass: 152.58 g/mol
Exact mass: 152.0141 Da
logP: 1.69Crippen estimate
Polar surface area: 36.7 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin50% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

135450-23-6

SMILES

C1=CC(=NC(=C1)C#N)CCl

InChIKey

NZOOXGNGNZWVQR-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 6-Chloromethyl-2-cyanopyridine

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

2,6-Pyridinedicarbonitrile2893-33-659 % similar 2,6-Bis(chloromethyl)pyridine3099-28-359 % similar 6-Chloro-2-pyridinecarbonitrile33252-29-855 % similar 6,6'-Dicyano-2,2'-bipyridyl4411-83-053 % similar 2-Chloro-6-(chloromethyl)pyridine78846-88-552 % similar 6-Bromopyridine-2-carbonitrile122918-25-650 % similar 6-Methylpyridine-2-carbonitrile1620-75-348 % similar 2-Pyridinecarbonitrile,6-amino-(9ci)370556-44-848 % 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 4-Amino-2-chlorobenzonitrile20925-27-3 4-Amino-3-chlorobenzonitrile21803-75-8 2-Chloro-6-methyl-3-pyridinecarbonitrile28900-10-9 3-Chloroindazole29110-74-5

Elsewhere

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