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

C15H12F2N2O — CID 168585452

IUPAC4-[2-(2,2-difluoroethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2ccccc2CC(F)F)c(C#N)c(=O)[nH]1
InChIInChI=1S/C15H12F2N2O/c1-9-6-12(13(8-18)15(20)19-9)11-5-3-2-4-10(11)7-14(16)17/h2-6,14H,7H2,1H3,(H,19,20)
InChIKeyTYMFBKIPGHRMPQ-UHFFFAOYSA-N
MW274.27 g/mol
LogP3.03
Rot. Bonds3

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

4-[2-(2,2-difluoroethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 168585452) has the molecular formula C15H12F2N2O and a molecular weight of 274.27 g/mol. Its IUPAC name is 4-[2-(2,2-difluoroethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[2-(2,2-difluoroethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID168585452
Molecular FormulaC15H12F2N2O
Molecular Weight274.27 g/mol
Exact Mass274.09
IUPAC Name4-[2-(2,2-difluoroethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2ccccc2CC(F)F)c(C#N)c(=O)[nH]1
InChIInChI=1S/C15H12F2N2O/c1-9-6-12(13(8-18)15(20)19-9)11-5-3-2-4-10(11)7-14(16)17/h2-6,14H,7H2,1H3,(H,19,20)
InChIKeyTYMFBKIPGHRMPQ-UHFFFAOYSA-N
XLogP3.03
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[2-(2,2-difluoroethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-[(dimethylamino)methyl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586524
4-[2-(difluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585529
4-[3-(bromomethyl)-2-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585480
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-(1,1,2,2,2-pentafluoroethyl)phenyl]-1H-pyridine-3-carbonitrile
CID 168585449
6-methyl-2-oxo-4-[2-(2-propan-2-ylphenoxy)phenyl]-1H-pyridine-3-carbonitrile
CID 168585556
4-(3-chloro-2-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584512
4-[2-(bromomethyl)-3-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585486
6-methyl-4-[2-(4-methylphenoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168585987
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

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,2-difluoroethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-[2-(2,2-difluoroethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 168585452) is 4-[2-(2,2-difluoroethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-[2-(2,2-difluoroethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-[2-(2,2-difluoroethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is Cc1cc(-c2ccccc2CC(F)F)c(C#N)c(=O)[nH]1.
What is the InChIKey of 4-[2-(2,2-difluoroethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is TYMFBKIPGHRMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O/c1-9-6-12(13(8-18)15(20)19-9)11-5-3-2-4-10(11)7-14(16)17/h2-6,14H,7H2,1H3,(H,19,20).
What are the key properties of 4-[2-(2,2-difluoroethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
4-[2-(2,2-difluoroethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 274.27 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,2-difluoroethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 168585452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).