CAS 36357-38-7|5-Acetyl-2-methylpyridine|1-(6-methylpyridin-3-yl)ethanone|1-(6-methylpyridin-3-yl)ethan-1-one|1-(6-Methyl-3-pyridinyl)-ethanone|5-Acetyl-2-picoline|2-Methyl-5-acetylpyridine|NSC 2797...

General Information

Structure

Molecular Formula

C₈H₉NO

Molecular Mass

135.16316

Exact Mass

135.06841391

Charge

InChI

InChI=1S/C8H9NO/c1-6-3-4-8(5-9-6)7(2)10/h3-5H,1-2H3

InChIKey

PVRYOKQFLBSILA-UHFFFAOYSA-N

Canonic Smiles

Cc1ccc(cn1)C(=O)C

Isomeric Smiles

c1(ccc(cn1)C(=O)C)C

Calculated Properties

JChem

Acid pKa

15.745776

H Acceptors

H Donor

LogD (pH = 5.5)

0.39809635

LogD (pH = 7.4)

0.44397116

Log P

0.44459108

Molar Refractivity

38.8954

Polarizability

14.927975

Polar Surface Area

29.96

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

5-Acetyl-2-methylpyridine5-Acetyl-2-methylpyridine5-Acetyl-2-picoline1-(6-Methyl-3-pyridinyl)-ethanone3-Acetyl-6-methylpyridine3-Acetyl-6-methylpyridineMethyl 6-Methyl-3-pyridyl Ketone2-Methyl-5-acetylpyridineNSC 279725-Acetyl-2-methylpyridine5-乙酰基-2-甲基吡啶

IUPAC Traditional name

1-(6-methylpyridin-3-yl)ethanone

IUPAC name

1-(6-methylpyridin-3-yl)ethan-1-one

Names and Identifiers

Registration numbers

CAS Number

36357-38-7

MDL Number

MFCD00128113

EC Number

252-995-8