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

C17H10FN3O — CID 1093309

IUPAC6-(4-fluorophenyl)-2-oxo-4-pyridin-3-yl-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cccnc2)cc(-c2ccc(F)cc2)[nH]c1=O
InChIInChI=1S/C17H10FN3O/c18-13-5-3-11(4-6-13)16-8-14(12-2-1-7-20-10-12)15(9-19)17(22)21-16/h1-8,10H,(H,21,22)
InChIKeyFNHOEEVYQHSUSH-UHFFFAOYSA-N
MW291.29 g/mol
LogP3.11
Rot. Bonds2

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

6-(4-fluorophenyl)-2-oxo-4-pyridin-3-yl-1H-pyridine-3-carbonitrile (PubChem CID 1093309) has the molecular formula C17H10FN3O and a molecular weight of 291.29 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-oxo-4-pyridin-3-yl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-oxo-4-pyridin-3-yl-1H-pyridine-3-carbonitrile
PubChem CID1093309
Molecular FormulaC17H10FN3O
Molecular Weight291.29 g/mol
Exact Mass291.08
IUPAC Name6-(4-fluorophenyl)-2-oxo-4-pyridin-3-yl-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cccnc2)cc(-c2ccc(F)cc2)[nH]c1=O
InChIInChI=1S/C17H10FN3O/c18-13-5-3-11(4-6-13)16-8-14(12-2-1-7-20-10-12)15(9-19)17(22)21-16/h1-8,10H,(H,21,22)
InChIKeyFNHOEEVYQHSUSH-UHFFFAOYSA-N
XLogP3.11
TPSA69.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-oxo-4-pyridin-3-yl-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-(4-fluorophenyl)-2-oxo-4-pyridin-3-yl-1H-pyridine-3-carbonitrile (CID 1093309) is 6-(4-fluorophenyl)-2-oxo-4-pyridin-3-yl-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-fluorophenyl)-2-oxo-4-pyridin-3-yl-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-(4-fluorophenyl)-2-oxo-4-pyridin-3-yl-1H-pyridine-3-carbonitrile is N#Cc1c(-c2cccnc2)cc(-c2ccc(F)cc2)[nH]c1=O.
What is the InChIKey of 6-(4-fluorophenyl)-2-oxo-4-pyridin-3-yl-1H-pyridine-3-carbonitrile?
The InChIKey is FNHOEEVYQHSUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FN3O/c18-13-5-3-11(4-6-13)16-8-14(12-2-1-7-20-10-12)15(9-19)17(22)21-16/h1-8,10H,(H,21,22).
What are the key properties of 6-(4-fluorophenyl)-2-oxo-4-pyridin-3-yl-1H-pyridine-3-carbonitrile?
6-(4-fluorophenyl)-2-oxo-4-pyridin-3-yl-1H-pyridine-3-carbonitrile has a molecular weight of 291.29 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-oxo-4-pyridin-3-yl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 1093309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).