CAS 23794-15-2|1-(2-chloropyridin-4-yl)ethan-1-one|1-(2-Chloro-4-pyridinyl)-1-ethanone|1-(2-chloropyridin-4-yl)ethanone|1-(2-chloropyridin-4-yl)ethanone|4-Acetyl-2-chloropyridine|1-(2-Chloropyridin-...

General Information

Structure

Molecular Formula

C₇H₆ClNO

Molecular Mass

155.58164

Exact Mass

155.0137915

Charge

InChI

InChI=1S/C7H6ClNO/c1-5(10)6-2-3-9-7(8)4-6/h2-4H,1H3

InChIKey

ZJCGPQZERFBGSM-UHFFFAOYSA-N

Canonic Smiles

Clc1nccc(c1)C(=O)C

Isomeric Smiles

c1(C(=O)C)cc(ncc1)Cl

Calculated Properties

JChem

Acid pKa

15.677524

H Acceptors

H Donor

LogD (pH = 5.5)

1.1374426

LogD (pH = 7.4)

1.1374427

Log P

1.1374427

Molar Refractivity

40.17

Polarizability

15.123963

Polar Surface Area

29.96

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

1-(2-Chloro-4-pyridinyl)-1-ethanone1-(2-chloropyridin-4-yl)ethanone1-(2-Chloropyridin-4-yl)ethan-1-one4-Acetyl-2-chloropyridine4-Acetyl-2-chloropyridine1-(2-chloro-4-pyridinyl)ethanone2-Chloro-4-acetylpyridine1-(2-Chloropyridin-4-yl)ethanone1-(2-chloropyridin-4-yl)ethan-1-one

IUPAC name

1-(2-chloropyridin-4-yl)ethan-1-one

IUPAC Traditional name

1-(2-chloropyridin-4-yl)ethanone

Names and Identifiers

Registration numbers

MDL Number

MFCD07699406

CAS Number

23794-15-2

PubChem CID

13145255