1-[(2-chloro-6-fluorophenyl)methyl]-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile

C19H11ClF2N2O — CID 2765211

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2ccc(F)cc2)n(Cc2c(F)cccc2Cl)c1=O
InChIInChI=1S/C19H11ClF2N2O/c20-16-2-1-3-17(22)15(16)11-24-18(9-6-13(10-23)19(24)25)12-4-7-14(21)8-5-12/h1-9H,11H2
InChIKeyQPZQZTKIAAMEHK-UHFFFAOYSA-N
MW356.76 g/mol
LogP4.37
Rot. Bonds3

About 1-[(2-chloro-6-fluorophenyl)methyl]-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile

1-[(2-chloro-6-fluorophenyl)methyl]-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile (PubChem CID 2765211) has the molecular formula C19H11ClF2N2O and a molecular weight of 356.76 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile
PubChem CID2765211
Molecular FormulaC19H11ClF2N2O
Molecular Weight356.76 g/mol
Exact Mass356.05
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2ccc(F)cc2)n(Cc2c(F)cccc2Cl)c1=O
InChIInChI=1S/C19H11ClF2N2O/c20-16-2-1-3-17(22)15(16)11-24-18(9-6-13(10-23)19(24)25)12-4-7-14(21)8-5-12/h1-9H,11H2
InChIKeyQPZQZTKIAAMEHK-UHFFFAOYSA-N
XLogP4.37
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.76
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile (CID 2765211) is 1-[(2-chloro-6-fluorophenyl)methyl]-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile is N#Cc1ccc(-c2ccc(F)cc2)n(Cc2c(F)cccc2Cl)c1=O.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is QPZQZTKIAAMEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClF2N2O/c20-16-2-1-3-17(22)15(16)11-24-18(9-6-13(10-23)19(24)25)12-4-7-14(21)8-5-12/h1-9H,11H2.
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile?
1-[(2-chloro-6-fluorophenyl)methyl]-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 356.76 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 2765211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).