4-[2-(difluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

C14H10F2N2O — CID 168585529

IUPAC4-[2-(difluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2ccccc2C(F)F)c(C#N)c(=O)[nH]1
InChIInChI=1S/C14H10F2N2O/c1-8-6-11(12(7-17)14(19)18-8)9-4-2-3-5-10(9)13(15)16/h2-6,13H,1H3,(H,18,19)
InChIKeyZAWQYQJTYKLZSF-UHFFFAOYSA-N
MW260.24 g/mol
LogP3.16
Rot. Bonds2

About 4-[2-(difluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

4-[2-(difluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 168585529) has the molecular formula C14H10F2N2O and a molecular weight of 260.24 g/mol. Its IUPAC name is 4-[2-(difluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[2-(difluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID168585529
Molecular FormulaC14H10F2N2O
Molecular Weight260.24 g/mol
Exact Mass260.08
IUPAC Name4-[2-(difluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2ccccc2C(F)F)c(C#N)c(=O)[nH]1
InChIInChI=1S/C14H10F2N2O/c1-8-6-11(12(7-17)14(19)18-8)9-4-2-3-5-10(9)13(15)16/h2-6,13H,1H3,(H,18,19)
InChIKeyZAWQYQJTYKLZSF-UHFFFAOYSA-N
XLogP3.16
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(2,2-difluoroethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585452
6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile
CID 168584507
6-methyl-4-[2-(4-methylphenyl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168584676
6-methyl-2-oxo-4-[2-(2-propan-2-ylphenoxy)phenyl]-1H-pyridine-3-carbonitrile
CID 168585556
6-methyl-2-oxo-4-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]-1H-pyridine-3-carbonitrile
CID 168585449
4-(3-chloro-2-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584512
4-[3-(bromomethyl)-2-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585480
6-methyl-2-oxo-4-[2-[4-(trifluoromethyl)phenyl]phenyl]-1H-pyridine-3-carbonitrile
CID 168585170
4-[3-(2-fluorophenyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584670
4-[2-[(dimethylamino)methyl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586524
6-methyl-4-[2-(5-methylfuran-2-yl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168587408
4-(3-fluoro-2-methoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585469

Frequently Asked Questions

What is the IUPAC name of 4-[2-(difluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-[2-(difluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 168585529) is 4-[2-(difluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-[2-(difluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-[2-(difluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is Cc1cc(-c2ccccc2C(F)F)c(C#N)c(=O)[nH]1.
What is the InChIKey of 4-[2-(difluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is ZAWQYQJTYKLZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O/c1-8-6-11(12(7-17)14(19)18-8)9-4-2-3-5-10(9)13(15)16/h2-6,13H,1H3,(H,18,19).
What are the key properties of 4-[2-(difluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
4-[2-(difluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 260.24 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(difluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 168585529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).