chempirical

2-Chloro-6-(chloromethyl)pyridine

C6H5Cl2NCAS 78846-88-5162.01 g/mol

Open in Covalent MOL file
NClCl
Alkyl halideAryl 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 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

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 2-(Chloromethyl)-6-methylpyridine hydrochloride3099-30-752 % 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

PubChem CAS Common Chemistry NIST WebBook