1-(4-chlorophenyl)-4-hydroxy-6-oxo-2-phenyl-5-propan-2-ylpyridine-3-carbonitrile

C21H17ClN2O2 — CID 110273584

IUPAC1-(4-chlorophenyl)-4-hydroxy-6-oxo-2-phenyl-5-propan-2-ylpyridine-3-carbonitrile
SMILESCC(C)c1c(O)c(C#N)c(-c2ccccc2)n(-c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C21H17ClN2O2/c1-13(2)18-20(25)17(12-23)19(14-6-4-3-5-7-14)24(21(18)26)16-10-8-15(22)9-11-16/h3-11,13,25H,1-2H3
InChIKeyNFRQJJVHTKUUMJ-UHFFFAOYSA-N
MW364.83 g/mol
LogP4.86
Rot. Bonds3

About 1-(4-chlorophenyl)-4-hydroxy-6-oxo-2-phenyl-5-propan-2-ylpyridine-3-carbonitrile

1-(4-chlorophenyl)-4-hydroxy-6-oxo-2-phenyl-5-propan-2-ylpyridine-3-carbonitrile (PubChem CID 110273584) has the molecular formula C21H17ClN2O2 and a molecular weight of 364.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-hydroxy-6-oxo-2-phenyl-5-propan-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-hydroxy-6-oxo-2-phenyl-5-propan-2-ylpyridine-3-carbonitrile
PubChem CID110273584
Molecular FormulaC21H17ClN2O2
Molecular Weight364.83 g/mol
Exact Mass364.10
IUPAC Name1-(4-chlorophenyl)-4-hydroxy-6-oxo-2-phenyl-5-propan-2-ylpyridine-3-carbonitrile
SMILESCC(C)c1c(O)c(C#N)c(-c2ccccc2)n(-c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C21H17ClN2O2/c1-13(2)18-20(25)17(12-23)19(14-6-4-3-5-7-14)24(21(18)26)16-10-8-15(22)9-11-16/h3-11,13,25H,1-2H3
InChIKeyNFRQJJVHTKUUMJ-UHFFFAOYSA-N
XLogP4.86
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-hydroxy-6-oxo-2-phenyl-5-propan-2-ylpyridine-3-carbonitrile?
The IUPAC name of 1-(4-chlorophenyl)-4-hydroxy-6-oxo-2-phenyl-5-propan-2-ylpyridine-3-carbonitrile (CID 110273584) is 1-(4-chlorophenyl)-4-hydroxy-6-oxo-2-phenyl-5-propan-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 1-(4-chlorophenyl)-4-hydroxy-6-oxo-2-phenyl-5-propan-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 1-(4-chlorophenyl)-4-hydroxy-6-oxo-2-phenyl-5-propan-2-ylpyridine-3-carbonitrile is CC(C)c1c(O)c(C#N)c(-c2ccccc2)n(-c2ccc(Cl)cc2)c1=O.
What is the InChIKey of 1-(4-chlorophenyl)-4-hydroxy-6-oxo-2-phenyl-5-propan-2-ylpyridine-3-carbonitrile?
The InChIKey is NFRQJJVHTKUUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O2/c1-13(2)18-20(25)17(12-23)19(14-6-4-3-5-7-14)24(21(18)26)16-10-8-15(22)9-11-16/h3-11,13,25H,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-4-hydroxy-6-oxo-2-phenyl-5-propan-2-ylpyridine-3-carbonitrile?
1-(4-chlorophenyl)-4-hydroxy-6-oxo-2-phenyl-5-propan-2-ylpyridine-3-carbonitrile has a molecular weight of 364.83 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-hydroxy-6-oxo-2-phenyl-5-propan-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 110273584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).