6-(4-fluorophenyl)-4-(oxan-3-yl)-2-oxo-1H-pyridine-3-carbonitrile

C17H15FN2O2 — CID 156859536

IUPAC6-(4-fluorophenyl)-4-(oxan-3-yl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(C2CCCOC2)cc(-c2ccc(F)cc2)[nH]c1=O
InChIInChI=1S/C17H15FN2O2/c18-13-5-3-11(4-6-13)16-8-14(12-2-1-7-22-10-12)15(9-19)17(21)20-16/h3-6,8,12H,1-2,7,10H2,(H,20,21)
InChIKeyVXKXDLQKCGXSOJ-UHFFFAOYSA-N
MW298.32 g/mol
LogP2.95
Rot. Bonds2

About 6-(4-fluorophenyl)-4-(oxan-3-yl)-2-oxo-1H-pyridine-3-carbonitrile

6-(4-fluorophenyl)-4-(oxan-3-yl)-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 156859536) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-4-(oxan-3-yl)-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-fluorophenyl)-4-(oxan-3-yl)-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID156859536
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name6-(4-fluorophenyl)-4-(oxan-3-yl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(C2CCCOC2)cc(-c2ccc(F)cc2)[nH]c1=O
InChIInChI=1S/C17H15FN2O2/c18-13-5-3-11(4-6-13)16-8-14(12-2-1-7-22-10-12)15(9-19)17(21)20-16/h3-6,8,12H,1-2,7,10H2,(H,20,21)
InChIKeyVXKXDLQKCGXSOJ-UHFFFAOYSA-N
XLogP2.95
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-4-(oxan-3-yl)-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-(4-fluorophenyl)-4-(oxan-3-yl)-2-oxo-1H-pyridine-3-carbonitrile (CID 156859536) is 6-(4-fluorophenyl)-4-(oxan-3-yl)-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-fluorophenyl)-4-(oxan-3-yl)-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-(4-fluorophenyl)-4-(oxan-3-yl)-2-oxo-1H-pyridine-3-carbonitrile is N#Cc1c(C2CCCOC2)cc(-c2ccc(F)cc2)[nH]c1=O.
What is the InChIKey of 6-(4-fluorophenyl)-4-(oxan-3-yl)-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is VXKXDLQKCGXSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c18-13-5-3-11(4-6-13)16-8-14(12-2-1-7-22-10-12)15(9-19)17(21)20-16/h3-6,8,12H,1-2,7,10H2,(H,20,21).
What are the key properties of 6-(4-fluorophenyl)-4-(oxan-3-yl)-2-oxo-1H-pyridine-3-carbonitrile?
6-(4-fluorophenyl)-4-(oxan-3-yl)-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 298.32 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-4-(oxan-3-yl)-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 156859536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).