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

C20H14ClFN2O — CID 134565205

IUPAC6-(2-chloro-3-methylphenyl)-1-[(2-fluorophenyl)methyl]-4-oxopyridine-3-carbonitrile
SMILESCc1cccc(-c2cc(=O)c(C#N)cn2Cc2ccccc2F)c1Cl
InChIInChI=1S/C20H14ClFN2O/c1-13-5-4-7-16(20(13)21)18-9-19(25)15(10-23)12-24(18)11-14-6-2-3-8-17(14)22/h2-9,12H,11H2,1H3
InChIKeyFNVQFQCRDBGHAK-UHFFFAOYSA-N
MW352.80 g/mol
LogP4.54
Rot. Bonds3

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

6-(2-chloro-3-methylphenyl)-1-[(2-fluorophenyl)methyl]-4-oxopyridine-3-carbonitrile (PubChem CID 134565205) has the molecular formula C20H14ClFN2O and a molecular weight of 352.80 g/mol. Its IUPAC name is 6-(2-chloro-3-methylphenyl)-1-[(2-fluorophenyl)methyl]-4-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(2-chloro-3-methylphenyl)-1-[(2-fluorophenyl)methyl]-4-oxopyridine-3-carbonitrile
PubChem CID134565205
Molecular FormulaC20H14ClFN2O
Molecular Weight352.80 g/mol
Exact Mass352.08
IUPAC Name6-(2-chloro-3-methylphenyl)-1-[(2-fluorophenyl)methyl]-4-oxopyridine-3-carbonitrile
SMILESCc1cccc(-c2cc(=O)c(C#N)cn2Cc2ccccc2F)c1Cl
InChIInChI=1S/C20H14ClFN2O/c1-13-5-4-7-16(20(13)21)18-9-19(25)15(10-23)12-24(18)11-14-6-2-3-8-17(14)22/h2-9,12H,11H2,1H3
InChIKeyFNVQFQCRDBGHAK-UHFFFAOYSA-N
XLogP4.54
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.80
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-3-methylphenyl)-1-[(2-fluorophenyl)methyl]-4-oxopyridine-3-carbonitrile?
The IUPAC name of 6-(2-chloro-3-methylphenyl)-1-[(2-fluorophenyl)methyl]-4-oxopyridine-3-carbonitrile (CID 134565205) is 6-(2-chloro-3-methylphenyl)-1-[(2-fluorophenyl)methyl]-4-oxopyridine-3-carbonitrile.
What is the SMILES notation for 6-(2-chloro-3-methylphenyl)-1-[(2-fluorophenyl)methyl]-4-oxopyridine-3-carbonitrile?
The canonical SMILES for 6-(2-chloro-3-methylphenyl)-1-[(2-fluorophenyl)methyl]-4-oxopyridine-3-carbonitrile is Cc1cccc(-c2cc(=O)c(C#N)cn2Cc2ccccc2F)c1Cl.
What is the InChIKey of 6-(2-chloro-3-methylphenyl)-1-[(2-fluorophenyl)methyl]-4-oxopyridine-3-carbonitrile?
The InChIKey is FNVQFQCRDBGHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN2O/c1-13-5-4-7-16(20(13)21)18-9-19(25)15(10-23)12-24(18)11-14-6-2-3-8-17(14)22/h2-9,12H,11H2,1H3.
What are the key properties of 6-(2-chloro-3-methylphenyl)-1-[(2-fluorophenyl)methyl]-4-oxopyridine-3-carbonitrile?
6-(2-chloro-3-methylphenyl)-1-[(2-fluorophenyl)methyl]-4-oxopyridine-3-carbonitrile has a molecular weight of 352.80 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-3-methylphenyl)-1-[(2-fluorophenyl)methyl]-4-oxopyridine-3-carbonitrile is sourced from PubChem (CID 134565205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).