4-[2-(2-fluorophenyl)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

C15H13FN2O — CID 82482516

IUPAC4-[2-(2-fluorophenyl)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(CCc2ccccc2F)c(C#N)c(=O)[nH]1
InChIInChI=1S/C15H13FN2O/c1-10-8-12(13(9-17)15(19)18-10)7-6-11-4-2-3-5-14(11)16/h2-5,8H,6-7H2,1H3,(H,18,19)
InChIKeyNYKFGXVILXALHZ-UHFFFAOYSA-N
MW256.28 g/mol
LogP2.48
Rot. Bonds3

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

4-[2-(2-fluorophenyl)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 82482516) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is 4-[2-(2-fluorophenyl)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[2-(2-fluorophenyl)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID82482516
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name4-[2-(2-fluorophenyl)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(CCc2ccccc2F)c(C#N)c(=O)[nH]1
InChIInChI=1S/C15H13FN2O/c1-10-8-12(13(9-17)15(19)18-10)7-6-11-4-2-3-5-14(11)16/h2-5,8H,6-7H2,1H3,(H,18,19)
InChIKeyNYKFGXVILXALHZ-UHFFFAOYSA-N
XLogP2.48
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-[(2-fluorophenyl)methoxy]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586741
4-[3-(2-fluorophenyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584670
6-methyl-4-[(2-methylphenoxy)methyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 82481944
4-[2-(2,2-difluoroethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585452
4-[3-(bromomethyl)-2-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585480
4-[2-(bromomethyl)-3-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585486
4-[2-[(dimethylamino)methyl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586524
4-(3-fluoro-2-methoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585469
4-(3-fluoro-4-phenylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585191
N-[2-(2-fluorophenyl)ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 70767353
4-(5-chloro-2-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584801
4-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586557

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-fluorophenyl)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-[2-(2-fluorophenyl)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 82482516) is 4-[2-(2-fluorophenyl)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-[2-(2-fluorophenyl)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-[2-(2-fluorophenyl)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is Cc1cc(CCc2ccccc2F)c(C#N)c(=O)[nH]1.
What is the InChIKey of 4-[2-(2-fluorophenyl)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is NYKFGXVILXALHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O/c1-10-8-12(13(9-17)15(19)18-10)7-6-11-4-2-3-5-14(11)16/h2-5,8H,6-7H2,1H3,(H,18,19).
What are the key properties of 4-[2-(2-fluorophenyl)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
4-[2-(2-fluorophenyl)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 256.28 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-fluorophenyl)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 82482516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).