Pyridine, 3-(chloromethyl)-5-iodo-, hydrochloride (1:1)

C₆H₆Cl₂INCAS 879326-79-1289.93 g/mol

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Alkyl halide Aryl halide

Properties

Molecular formula: C₆H₆Cl₂IN
Molar mass: 289.93 g/mol
Exact mass: 288.8922 Da
logP: 2.85Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

879326-79-1

SMILES

Cl.ClCc1cncc(I)c1

InChIKey

BKXIXOQERHWQPJ-UHFFFAOYSA-N

InChI

InChI=1S/C6H5ClIN.ClH/c7-2-5-1-6(8)4-9-3-5;/h1,3-4H,2H2;1H

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Names and synonyms

1 names

Pyridine, 3-(chloromethyl)-5-iodo-, hydrochloride

Work with Pyridine, 3-(chloromethyl)-5-iodo-, hydrochloride (1:1)

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

3-(Chloromethyl)pyridine hydrochloride6959-48-447 % similar 4-Picolyl chloride hydrochloride1822-51-144 % similar 5-(Chloromethyl)pyrimidine101346-02-543 % similar 3-Fluoro-5-iodopyridine757950-13-339 % similar m-Iodobenzylamine hydrochloride3718-88-534 % similar 2-(Chloromethyl)pyrimidine hydrochloride936643-80-031 % similar 1,3-Bis(chloromethyl)benzene626-16-431 % similar Xylylene dichloride623-25-631 % similar

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

Elsewhere

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