2-[6-(2,4-dimethylphenyl)-2-oxo-1H-pyridin-3-yl]acetonitrile

C15H14N2O — CID 82520358

IUPAC2-[6-(2,4-dimethylphenyl)-2-oxo-1H-pyridin-3-yl]acetonitrile
SMILESCc1ccc(-c2ccc(CC#N)c(=O)[nH]2)c(C)c1
InChIInChI=1S/C15H14N2O/c1-10-3-5-13(11(2)9-10)14-6-4-12(7-8-16)15(18)17-14/h3-6,9H,7H2,1-2H3,(H,17,18)
InChIKeyCWYXPZVESCVXGW-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.72
Rot. Bonds2

About 2-[6-(2,4-dimethylphenyl)-2-oxo-1H-pyridin-3-yl]acetonitrile

2-[6-(2,4-dimethylphenyl)-2-oxo-1H-pyridin-3-yl]acetonitrile (PubChem CID 82520358) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[6-(2,4-dimethylphenyl)-2-oxo-1H-pyridin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[6-(2,4-dimethylphenyl)-2-oxo-1H-pyridin-3-yl]acetonitrile
PubChem CID82520358
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name2-[6-(2,4-dimethylphenyl)-2-oxo-1H-pyridin-3-yl]acetonitrile
SMILESCc1ccc(-c2ccc(CC#N)c(=O)[nH]2)c(C)c1
InChIInChI=1S/C15H14N2O/c1-10-3-5-13(11(2)9-10)14-6-4-12(7-8-16)15(18)17-14/h3-6,9H,7H2,1-2H3,(H,17,18)
InChIKeyCWYXPZVESCVXGW-UHFFFAOYSA-N
XLogP2.72
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[6-(2,4-dimethylphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile
CID 82520309
4-(2-chlorophenyl)-6-(2,4-dimethylphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656970
2-[6-(2,4-dimethylphenyl)-2-ethyl-3-oxopyridazin-4-yl]acetonitrile
CID 82444824
2-(2-oxo-6-propan-2-yl-1H-pyridin-3-yl)acetonitrile
CID 82524660
2-[6-(2,5-dimethylphenyl)-2-oxo-1-propyl-3-pyridinyl]acetonitrile
CID 82519871
2-[6-(3-nitrophenyl)-2-oxo-1H-pyridin-3-yl]acetonitrile
CID 82517135
3-[(cyclopropylamino)methyl]-6-(2,5-dimethylphenyl)-1H-pyridin-2-one
CID 82519976
2-(cyanomethyl)-5-methylbenzoyl chloride
CID 45081723
2-(cyanomethyl)-5-methylbenzenesulfonyl chloride
CID 83271543
2-(4-methyl-2-nitrophenyl)acetonitrile
CID 24729525
2-[6-(2-methoxy-5-methylphenyl)-2-oxo-1H-pyridin-3-yl]acetic acid
CID 82517496
6-(2,4-dimethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656504

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,4-dimethylphenyl)-2-oxo-1H-pyridin-3-yl]acetonitrile?
The IUPAC name of 2-[6-(2,4-dimethylphenyl)-2-oxo-1H-pyridin-3-yl]acetonitrile (CID 82520358) is 2-[6-(2,4-dimethylphenyl)-2-oxo-1H-pyridin-3-yl]acetonitrile.
What is the SMILES notation for 2-[6-(2,4-dimethylphenyl)-2-oxo-1H-pyridin-3-yl]acetonitrile?
The canonical SMILES for 2-[6-(2,4-dimethylphenyl)-2-oxo-1H-pyridin-3-yl]acetonitrile is Cc1ccc(-c2ccc(CC#N)c(=O)[nH]2)c(C)c1.
What is the InChIKey of 2-[6-(2,4-dimethylphenyl)-2-oxo-1H-pyridin-3-yl]acetonitrile?
The InChIKey is CWYXPZVESCVXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-10-3-5-13(11(2)9-10)14-6-4-12(7-8-16)15(18)17-14/h3-6,9H,7H2,1-2H3,(H,17,18).
What are the key properties of 2-[6-(2,4-dimethylphenyl)-2-oxo-1H-pyridin-3-yl]acetonitrile?
2-[6-(2,4-dimethylphenyl)-2-oxo-1H-pyridin-3-yl]acetonitrile has a molecular weight of 238.29 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,4-dimethylphenyl)-2-oxo-1H-pyridin-3-yl]acetonitrile is sourced from PubChem (CID 82520358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).