6-(4-fluorophenyl)-2-oxo-1-propylpyridine-3-carbonitrile

C15H13FN2O — CID 82099180

IUPAC6-(4-fluorophenyl)-2-oxo-1-propylpyridine-3-carbonitrile
SMILESCCCn1c(-c2ccc(F)cc2)ccc(C#N)c1=O
InChIInChI=1S/C15H13FN2O/c1-2-9-18-14(8-5-12(10-17)15(18)19)11-3-6-13(16)7-4-11/h3-8H,2,9H2,1H3
InChIKeyFMLCQIAXLOVSDL-UHFFFAOYSA-N
MW256.28 g/mol
LogP2.94
Rot. Bonds3

About 6-(4-fluorophenyl)-2-oxo-1-propylpyridine-3-carbonitrile

6-(4-fluorophenyl)-2-oxo-1-propylpyridine-3-carbonitrile (PubChem CID 82099180) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-oxo-1-propylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-oxo-1-propylpyridine-3-carbonitrile
PubChem CID82099180
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name6-(4-fluorophenyl)-2-oxo-1-propylpyridine-3-carbonitrile
SMILESCCCn1c(-c2ccc(F)cc2)ccc(C#N)c1=O
InChIInChI=1S/C15H13FN2O/c1-2-9-18-14(8-5-12(10-17)15(18)19)11-3-6-13(16)7-4-11/h3-8H,2,9H2,1H3
InChIKeyFMLCQIAXLOVSDL-UHFFFAOYSA-N
XLogP2.94
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile
CID 82099181
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
3-(aminomethyl)-6-(4-fluorophenyl)-1-propylpyridin-2-one
CID 82519561
1-butan-2-yl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile
CID 82519490
6-(4-fluorophenyl)-2-oxo-1-(2-piperidin-2-ylethyl)pyridine-3-carbonitrile
CID 82147336
1-butyl-2-oxo-6-(4-propoxyphenyl)pyridine-3-carbonitrile
CID 82517769
3-(1-aminoethyl)-6-(4-fluorophenyl)-1-propylpyridin-2-one
CID 82519555
6-(4-ethylphenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carbonitrile
CID 82520500
6-(4-tert-butylphenyl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carbonitrile
CID 82099274
2-oxo-6-(3-propoxyphenyl)-1-propylpyridine-3-carbonitrile
CID 82518204
1-(2-aminoethyl)-6-(4-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82146449

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-oxo-1-propylpyridine-3-carbonitrile?
The IUPAC name of 6-(4-fluorophenyl)-2-oxo-1-propylpyridine-3-carbonitrile (CID 82099180) is 6-(4-fluorophenyl)-2-oxo-1-propylpyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-fluorophenyl)-2-oxo-1-propylpyridine-3-carbonitrile?
The canonical SMILES for 6-(4-fluorophenyl)-2-oxo-1-propylpyridine-3-carbonitrile is CCCn1c(-c2ccc(F)cc2)ccc(C#N)c1=O.
What is the InChIKey of 6-(4-fluorophenyl)-2-oxo-1-propylpyridine-3-carbonitrile?
The InChIKey is FMLCQIAXLOVSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O/c1-2-9-18-14(8-5-12(10-17)15(18)19)11-3-6-13(16)7-4-11/h3-8H,2,9H2,1H3.
What are the key properties of 6-(4-fluorophenyl)-2-oxo-1-propylpyridine-3-carbonitrile?
6-(4-fluorophenyl)-2-oxo-1-propylpyridine-3-carbonitrile has a molecular weight of 256.28 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-oxo-1-propylpyridine-3-carbonitrile is sourced from PubChem (CID 82099180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).