1-[(3-fluorophenyl)methyl]-4-(furan-2-yl)-2-oxopyridine-3-carbonitrile

C17H11FN2O2 — CID 1489164

IUPAC1-[(3-fluorophenyl)methyl]-4-(furan-2-yl)-2-oxopyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccco2)ccn(Cc2cccc(F)c2)c1=O
InChIInChI=1S/C17H11FN2O2/c18-13-4-1-3-12(9-13)11-20-7-6-14(15(10-19)17(20)21)16-5-2-8-22-16/h1-9H,11H2
InChIKeyYXLFPRJMFXURMW-UHFFFAOYSA-N
MW294.29 g/mol
LogP3.17
Rot. Bonds3

About 1-[(3-fluorophenyl)methyl]-4-(furan-2-yl)-2-oxopyridine-3-carbonitrile

1-[(3-fluorophenyl)methyl]-4-(furan-2-yl)-2-oxopyridine-3-carbonitrile (PubChem CID 1489164) has the molecular formula C17H11FN2O2 and a molecular weight of 294.29 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-4-(furan-2-yl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-4-(furan-2-yl)-2-oxopyridine-3-carbonitrile
PubChem CID1489164
Molecular FormulaC17H11FN2O2
Molecular Weight294.29 g/mol
Exact Mass294.08
IUPAC Name1-[(3-fluorophenyl)methyl]-4-(furan-2-yl)-2-oxopyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccco2)ccn(Cc2cccc(F)c2)c1=O
InChIInChI=1S/C17H11FN2O2/c18-13-4-1-3-12(9-13)11-20-7-6-14(15(10-19)17(20)21)16-5-2-8-22-16/h1-9H,11H2
InChIKeyYXLFPRJMFXURMW-UHFFFAOYSA-N
XLogP3.17
TPSA58.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-4-(furan-2-yl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-4-(furan-2-yl)-2-oxopyridine-3-carbonitrile (CID 1489164) is 1-[(3-fluorophenyl)methyl]-4-(furan-2-yl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-4-(furan-2-yl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-4-(furan-2-yl)-2-oxopyridine-3-carbonitrile is N#Cc1c(-c2ccco2)ccn(Cc2cccc(F)c2)c1=O.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-4-(furan-2-yl)-2-oxopyridine-3-carbonitrile?
The InChIKey is YXLFPRJMFXURMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN2O2/c18-13-4-1-3-12(9-13)11-20-7-6-14(15(10-19)17(20)21)16-5-2-8-22-16/h1-9H,11H2.
What are the key properties of 1-[(3-fluorophenyl)methyl]-4-(furan-2-yl)-2-oxopyridine-3-carbonitrile?
1-[(3-fluorophenyl)methyl]-4-(furan-2-yl)-2-oxopyridine-3-carbonitrile has a molecular weight of 294.29 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-4-(furan-2-yl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 1489164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).