1-butyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile

C16H15FN2O — CID 82099181

IUPAC1-butyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile
SMILESCCCCn1c(-c2ccc(F)cc2)ccc(C#N)c1=O
InChIInChI=1S/C16H15FN2O/c1-2-3-10-19-15(9-6-13(11-18)16(19)20)12-4-7-14(17)8-5-12/h4-9H,2-3,10H2,1H3
InChIKeyIPNRJVOGSLEFMY-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.33
Rot. Bonds4

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

1-butyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile (PubChem CID 82099181) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 1-butyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-butyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile
PubChem CID82099181
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name1-butyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile
SMILESCCCCn1c(-c2ccc(F)cc2)ccc(C#N)c1=O
InChIInChI=1S/C16H15FN2O/c1-2-3-10-19-15(9-6-13(11-18)16(19)20)12-4-7-14(17)8-5-12/h4-9H,2-3,10H2,1H3
InChIKeyIPNRJVOGSLEFMY-UHFFFAOYSA-N
XLogP3.33
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.33
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-(4-aminobutyl)-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile
CID 82146528
1-butyl-2-oxo-6-(4-propoxyphenyl)pyridine-3-carbonitrile
CID 82517769
3-[3-cyano-6-(4-fluorophenyl)-2-oxo-1-pyridinyl]propanoic acid
CID 82099191
1-butyl-3-(chloromethyl)-6-(4-fluorophenyl)pyridin-2-one
CID 82519520
6-(4-ethoxyphenyl)-1-(3-hydroxypropyl)-2-oxopyridine-3-carbonitrile
CID 82099318
1-butyl-6-(2-ethoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82518797
6-(4-chlorophenyl)-1-(3-hydroxypropyl)-2-oxopyridine-3-carbonitrile
CID 82099168
1-butan-2-yl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile
CID 82519490
1-butyl-6-(2,5-dimethylphenyl)-2-oxopyridine-3-carbonitrile
CID 82519838
6-(4-chlorophenyl)-1-(3-methoxypropyl)-2-oxopyridine-3-carbonitrile
CID 82519215
6-(4-fluorophenyl)-2-oxo-1-(2-piperidin-2-ylethyl)pyridine-3-carbonitrile
CID 82147336

Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-butyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile (CID 82099181) is 1-butyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-butyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-butyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile is CCCCn1c(-c2ccc(F)cc2)ccc(C#N)c1=O.
What is the InChIKey of 1-butyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is IPNRJVOGSLEFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-2-3-10-19-15(9-6-13(11-18)16(19)20)12-4-7-14(17)8-5-12/h4-9H,2-3,10H2,1H3.
What are the key properties of 1-butyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile?
1-butyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 270.31 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 82099181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).