1-(4-fluorobenzoyl)-6-methyl-2-oxo-4-phenylpyridine-3-carbonitrile

C20H13FN2O2 — CID 171984034

IUPAC1-(4-fluorobenzoyl)-6-methyl-2-oxo-4-phenylpyridine-3-carbonitrile
SMILESCc1cc(-c2ccccc2)c(C#N)c(=O)n1C(=O)c1ccc(F)cc1
InChIInChI=1S/C20H13FN2O2/c1-13-11-17(14-5-3-2-4-6-14)18(12-22)20(25)23(13)19(24)15-7-9-16(21)10-8-15/h2-11H,1H3
InChIKeyXXURUUABWRSWRP-UHFFFAOYSA-N
MW332.33 g/mol
LogP3.52
Rot. Bonds2

About 1-(4-fluorobenzoyl)-6-methyl-2-oxo-4-phenylpyridine-3-carbonitrile

1-(4-fluorobenzoyl)-6-methyl-2-oxo-4-phenylpyridine-3-carbonitrile (PubChem CID 171984034) has the molecular formula C20H13FN2O2 and a molecular weight of 332.33 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-6-methyl-2-oxo-4-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-6-methyl-2-oxo-4-phenylpyridine-3-carbonitrile
PubChem CID171984034
Molecular FormulaC20H13FN2O2
Molecular Weight332.33 g/mol
Exact Mass332.10
IUPAC Name1-(4-fluorobenzoyl)-6-methyl-2-oxo-4-phenylpyridine-3-carbonitrile
SMILESCc1cc(-c2ccccc2)c(C#N)c(=O)n1C(=O)c1ccc(F)cc1
InChIInChI=1S/C20H13FN2O2/c1-13-11-17(14-5-3-2-4-6-14)18(12-22)20(25)23(13)19(24)15-7-9-16(21)10-8-15/h2-11H,1H3
InChIKeyXXURUUABWRSWRP-UHFFFAOYSA-N
XLogP3.52
TPSA62.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzoyl-4-(furan-2-yl)-6-methyl-2-oxopyridine-3-carbonitrile
CID 164889120
4-(4-fluorophenyl)-1-methyl-2-oxo-6-phenylpyridine-3-carbonitrile
CID 175962931
1,6-dimethyl-2-oxo-4-pyridin-3-ylpyridine-3-carbonitrile
CID 82080782
2-amino-4-(4-fluorophenyl)-6-phenylbenzene-1,3-dicarbonitrile
CID 12601373
4-cyano-5-phenylbenzene-1,3-dicarboxylic acid
CID 175702461
4-(3-fluoro-4-phenylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585191
1,6-dimethyl-4-(2-methylphenyl)-2-oxopyridine-3-carbonitrile
CID 82084066
2-[[3-cyano-6-(4-methylphenyl)-4-phenyl-2-pyridinyl]sulfanyl]-N-(4-fluorophenyl)acetamide
CID 3133404
1-[(3,5-dimethylpyrazol-1-yl)methyl]-2-oxo-4,6-diphenylpyridine-3-carbonitrile
CID 4554156
ethyl 4-(3-cyano-4-phenylpyrrol-1-yl)-3-fluorobenzoate
CID 59477932
carbazol-9-yl-(4-fluorophenyl)methanone
CID 8852543
2-(4-fluorobenzoyl)isoindole-1,3-dione
CID 3643646

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-6-methyl-2-oxo-4-phenylpyridine-3-carbonitrile?
The IUPAC name of 1-(4-fluorobenzoyl)-6-methyl-2-oxo-4-phenylpyridine-3-carbonitrile (CID 171984034) is 1-(4-fluorobenzoyl)-6-methyl-2-oxo-4-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 1-(4-fluorobenzoyl)-6-methyl-2-oxo-4-phenylpyridine-3-carbonitrile?
The canonical SMILES for 1-(4-fluorobenzoyl)-6-methyl-2-oxo-4-phenylpyridine-3-carbonitrile is Cc1cc(-c2ccccc2)c(C#N)c(=O)n1C(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorobenzoyl)-6-methyl-2-oxo-4-phenylpyridine-3-carbonitrile?
The InChIKey is XXURUUABWRSWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN2O2/c1-13-11-17(14-5-3-2-4-6-14)18(12-22)20(25)23(13)19(24)15-7-9-16(21)10-8-15/h2-11H,1H3.
What are the key properties of 1-(4-fluorobenzoyl)-6-methyl-2-oxo-4-phenylpyridine-3-carbonitrile?
1-(4-fluorobenzoyl)-6-methyl-2-oxo-4-phenylpyridine-3-carbonitrile has a molecular weight of 332.33 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-6-methyl-2-oxo-4-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 171984034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).