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

C12H7FN2O — CID 71683757

IUPAC4-(2-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2F)cc[nH]c1=O
InChIInChI=1S/C12H7FN2O/c13-11-4-2-1-3-9(11)8-5-6-15-12(16)10(8)7-14/h1-6H,(H,15,16)
InChIKeyUUCFLASJUPWEIX-UHFFFAOYSA-N
MW214.20 g/mol
LogP2.05
Rot. Bonds1

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

4-(2-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 71683757) has the molecular formula C12H7FN2O and a molecular weight of 214.20 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(2-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID71683757
Molecular FormulaC12H7FN2O
Molecular Weight214.20 g/mol
Exact Mass214.05
IUPAC Name4-(2-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2F)cc[nH]c1=O
InChIInChI=1S/C12H7FN2O/c13-11-4-2-1-3-9(11)8-5-6-15-12(16)10(8)7-14/h1-6H,(H,15,16)
InChIKeyUUCFLASJUPWEIX-UHFFFAOYSA-N
XLogP2.05
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.20
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(2-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile (CID 71683757) is 4-(2-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(2-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(2-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile is N#Cc1c(-c2ccccc2F)cc[nH]c1=O.
What is the InChIKey of 4-(2-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is UUCFLASJUPWEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN2O/c13-11-4-2-1-3-9(11)8-5-6-15-12(16)10(8)7-14/h1-6H,(H,15,16).
What are the key properties of 4-(2-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile?
4-(2-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 214.20 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 71683757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).