1-butan-2-yl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile

C16H15FN2O — CID 82519490

IUPAC1-butan-2-yl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile
SMILESCCC(C)n1c(-c2ccc(F)cc2)ccc(C#N)c1=O
InChIInChI=1S/C16H15FN2O/c1-3-11(2)19-15(9-6-13(10-18)16(19)20)12-4-7-14(17)8-5-12/h4-9,11H,3H2,1-2H3
InChIKeyRUGVWSWTHYXLGZ-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.50
Rot. Bonds3

About 1-butan-2-yl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile

1-butan-2-yl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile (PubChem CID 82519490) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 1-butan-2-yl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-butan-2-yl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile
PubChem CID82519490
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name1-butan-2-yl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile
SMILESCCC(C)n1c(-c2ccc(F)cc2)ccc(C#N)c1=O
InChIInChI=1S/C16H15FN2O/c1-3-11(2)19-15(9-6-13(10-18)16(19)20)12-4-7-14(17)8-5-12/h4-9,11H,3H2,1-2H3
InChIKeyRUGVWSWTHYXLGZ-UHFFFAOYSA-N
XLogP3.50
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-fluorophenyl)-2-oxo-1-propylpyridine-3-carbonitrile
CID 82099180
1-butan-2-yl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonyl chloride
CID 82519475
1-butyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile
CID 82099181
2-[3-cyano-6-(4-methylphenyl)-2-oxo-1-pyridinyl]butanoic acid
CID 82099050
2-oxo-1-propan-2-yl-6-(4-propan-2-yloxyphenyl)pyridine-3-carbonitrile
CID 82517833
3-[3-cyano-6-(4-fluorophenyl)-2-oxo-1-pyridinyl]propanoic acid
CID 82099191
1-(4-aminobutyl)-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile
CID 82146528
6-(4-methylphenyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile
CID 82099063
1-(1-aminopropan-2-yl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82146801
1-butan-2-yl-3-(hydroxymethyl)-6-(4-propan-2-ylphenyl)pyridin-2-one
CID 82520385
3-amino-6-(4-fluorophenyl)-1-propan-2-ylpyridin-2-one
CID 82466922
3-(1-aminoethyl)-1-butan-2-yl-6-(4-ethylphenyl)pyridin-2-one
CID 82520520

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-butan-2-yl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile (CID 82519490) is 1-butan-2-yl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-butan-2-yl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-butan-2-yl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile is CCC(C)n1c(-c2ccc(F)cc2)ccc(C#N)c1=O.
What is the InChIKey of 1-butan-2-yl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is RUGVWSWTHYXLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-3-11(2)19-15(9-6-13(10-18)16(19)20)12-4-7-14(17)8-5-12/h4-9,11H,3H2,1-2H3.
What are the key properties of 1-butan-2-yl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile?
1-butan-2-yl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 270.31 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 82519490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).