2-(2-acetylphenyl)-6-methylpyridine-3-carbonitrile

C15H12N2O — CID 39801981

IUPAC2-(2-acetylphenyl)-6-methylpyridine-3-carbonitrile
SMILESCC(=O)c1ccccc1-c1nc(C)ccc1C#N
InChIInChI=1S/C15H12N2O/c1-10-7-8-12(9-16)15(17-10)14-6-4-3-5-13(14)11(2)18/h3-8H,1-2H3
InChIKeyOXBRRQVZYLENRW-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.13
Rot. Bonds2

About 2-(2-acetylphenyl)-6-methylpyridine-3-carbonitrile

2-(2-acetylphenyl)-6-methylpyridine-3-carbonitrile (PubChem CID 39801981) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-(2-acetylphenyl)-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-acetylphenyl)-6-methylpyridine-3-carbonitrile
PubChem CID39801981
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name2-(2-acetylphenyl)-6-methylpyridine-3-carbonitrile
SMILESCC(=O)c1ccccc1-c1nc(C)ccc1C#N
InChIInChI=1S/C15H12N2O/c1-10-7-8-12(9-16)15(17-10)14-6-4-3-5-13(14)11(2)18/h3-8H,1-2H3
InChIKeyOXBRRQVZYLENRW-UHFFFAOYSA-N
XLogP3.13
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyano-6-methyl-2-pyridinyl)acetamide
CID 130007246
1-(2-pyrimidin-2-ylphenyl)ethanone
CID 55262820
2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-6-methylpyridine-3-carbonitrile
CID 56701420
2-[3-(1-hydroxyethyl)-6-methyl-2-pyridinyl]benzamide
CID 168991367
2-(2-acetylphenyl)pyridine-4-carbonitrile
CID 39782180
4-acetyl-2-fluoro-3-methylbenzonitrile
CID 131525272
3-acetyl-2-aminobenzonitrile
CID 45086189
5-acetyl-6-methyl-2-(phenoxymethylsulfanyl)pyridine-3-carbonitrile
CID 912275
5-acetyl-2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]-6-methylpyridine-3-carbonitrile
CID 18171760
1-[4-(2-acetylphenyl)phenyl]ethanone
CID 11207145
ethane;methyl 3-cyano-6-methylpyridine-2-carboxylate
CID 142574365
2-[6-(2-acetylphenyl)hex-3-en-1,5-diynyl]benzonitrile
CID 71419250

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetylphenyl)-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-(2-acetylphenyl)-6-methylpyridine-3-carbonitrile (CID 39801981) is 2-(2-acetylphenyl)-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-acetylphenyl)-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-(2-acetylphenyl)-6-methylpyridine-3-carbonitrile is CC(=O)c1ccccc1-c1nc(C)ccc1C#N.
What is the InChIKey of 2-(2-acetylphenyl)-6-methylpyridine-3-carbonitrile?
The InChIKey is OXBRRQVZYLENRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-10-7-8-12(9-16)15(17-10)14-6-4-3-5-13(14)11(2)18/h3-8H,1-2H3.
What are the key properties of 2-(2-acetylphenyl)-6-methylpyridine-3-carbonitrile?
2-(2-acetylphenyl)-6-methylpyridine-3-carbonitrile has a molecular weight of 236.27 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetylphenyl)-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 39801981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).