1-[(3-chlorophenyl)methyl]-2-oxo-4-phenylpyridine-3-carbonitrile

C19H13ClN2O — CID 1487451

IUPAC1-[(3-chlorophenyl)methyl]-2-oxo-4-phenylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)ccn(Cc2cccc(Cl)c2)c1=O
InChIInChI=1S/C19H13ClN2O/c20-16-8-4-5-14(11-16)13-22-10-9-17(18(12-21)19(22)23)15-6-2-1-3-7-15/h1-11H,13H2
InChIKeyMZDZRITYUUKHOF-UHFFFAOYSA-N
MW320.78 g/mol
LogP4.09
Rot. Bonds3

About 1-[(3-chlorophenyl)methyl]-2-oxo-4-phenylpyridine-3-carbonitrile

1-[(3-chlorophenyl)methyl]-2-oxo-4-phenylpyridine-3-carbonitrile (PubChem CID 1487451) has the molecular formula C19H13ClN2O and a molecular weight of 320.78 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-2-oxo-4-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-2-oxo-4-phenylpyridine-3-carbonitrile
PubChem CID1487451
Molecular FormulaC19H13ClN2O
Molecular Weight320.78 g/mol
Exact Mass320.07
IUPAC Name1-[(3-chlorophenyl)methyl]-2-oxo-4-phenylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)ccn(Cc2cccc(Cl)c2)c1=O
InChIInChI=1S/C19H13ClN2O/c20-16-8-4-5-14(11-16)13-22-10-9-17(18(12-21)19(22)23)15-6-2-1-3-7-15/h1-11H,13H2
InChIKeyMZDZRITYUUKHOF-UHFFFAOYSA-N
XLogP4.09
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-2-oxo-4-phenylpyridine-3-carbonitrile?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-2-oxo-4-phenylpyridine-3-carbonitrile (CID 1487451) is 1-[(3-chlorophenyl)methyl]-2-oxo-4-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-2-oxo-4-phenylpyridine-3-carbonitrile?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-2-oxo-4-phenylpyridine-3-carbonitrile is N#Cc1c(-c2ccccc2)ccn(Cc2cccc(Cl)c2)c1=O.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-2-oxo-4-phenylpyridine-3-carbonitrile?
The InChIKey is MZDZRITYUUKHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O/c20-16-8-4-5-14(11-16)13-22-10-9-17(18(12-21)19(22)23)15-6-2-1-3-7-15/h1-11H,13H2.
What are the key properties of 1-[(3-chlorophenyl)methyl]-2-oxo-4-phenylpyridine-3-carbonitrile?
1-[(3-chlorophenyl)methyl]-2-oxo-4-phenylpyridine-3-carbonitrile has a molecular weight of 320.78 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-2-oxo-4-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 1487451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).