2-Methyl-6-(phenylethynyl)pyridine hydrochloride

C₁₄H₁₂ClNCAS 219911-35-0229.71 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₁₂ClN
Molar mass: 229.71 g/mol
Exact mass: 229.0658 Da
Melting point: 145–146 °C
logP: 3.21Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

219911-35-0

SMILES

Cc1cccc(C#Cc2ccccc2)n1.Cl

InChIKey

PKDHDJBNEKXCBI-UHFFFAOYSA-N

InChI

InChI=1S/C14H11N.ClH/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13;/h2-9H,1H3;1H

Weigh it out

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

Names and synonyms

3 names

Pyridine, 2-methyl-6-(2-phenylethynyl)-, hydrochloride (1:1)
Pyridine, 2-methyl-6-(phenylethynyl)-, hydrochloride
MPEP hydrochloride

Work with 2-Methyl-6-(phenylethynyl)pyridine hydrochloride

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

Mpep96206-92-790 % similar 2,6-Lutidine108-48-543 % similar 2-(Chloromethyl)-6-methylpyridine hydrochloride3099-30-741 % similar 1,4-Bis(2-phenylethynyl)benzene1849-27-040 % similar 2-Hydroxy-6-methylpyridine3279-76-340 % similar 6,6′-Dimethyl-2,2′-bipyridine4411-80-739 % similar 2-Diphenylphosphino-6-methylpyridine132682-77-038 % similar 2-Chloro-6-methylpyridine18368-63-337 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Chloroiminodibenzyl32943-25-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook