2-Chloro-6-(chloromethyl)pyridine

C₆H₅Cl₂NCAS 78846-88-5162.01 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₆H₅Cl₂N
Molar mass: 162.01 g/mol
Exact mass: 160.9799 Da
logP: 2.47Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H314 Causes severe skin burns and eye damage50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% 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, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

78846-88-5

SMILES

C1=CC(=NC(=C1)Cl)CCl

InChIKey

VHKDPJQJCMVQFZ-UHFFFAOYSA-N

InChI

InChI=1S/C6H5Cl2N/c7-4-5-2-1-3-6(8)9-5/h1-3H,4H2

Weigh it out

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

Names and synonyms

1 names

Chempacific 38158

Work with 2-Chloro-6-(chloromethyl)pyridine

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-Bis(chloromethyl)pyridine3099-28-373 % similar 2,6-Dichloropyridine2402-78-055 % similar 6-Chloromethyl-2-cyanopyridine135450-23-652 % similar 6-Chloromethyl-2-methylpyridinium chloride3099-30-752 % similar 2-Chloromethylpyridine4377-33-746 % similar 6-Chloro-2(1H)-pyridinone16879-02-043 % similar 2-Chloro-6-methylpyridine18368-63-343 % similar 2-Chloro-6-fluoropyridine20885-12-543 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Chloro-2-(chloromethyl)pyridine10177-24-9 2-Chloro-4-(chloromethyl)pyridine101990-73-2 2,4-Dichloro-3-methylpyridine132097-09-7 2,6-Dichloro-4-methylpyridine39621-00-6 2,4-Dichloro-6-methylpyridine42779-56-6 2,4-Dichloroaniline554-00-7 2,4-Dichloro-5-methylpyridine56961-78-5 2,6-Dichloro-3-methylpyridine58584-94-4

Elsewhere

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