1-(4-chlorophenyl)-5-(2-hydroxy-5-methylbenzoyl)-2-oxopyridine-3-carbonitrile

C20H13ClN2O3 — CID 3301984

IUPAC1-(4-chlorophenyl)-5-(2-hydroxy-5-methylbenzoyl)-2-oxopyridine-3-carbonitrile
SMILESCc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(-c3ccc(Cl)cc3)c2)c1
InChIInChI=1S/C20H13ClN2O3/c1-12-2-7-18(24)17(8-12)19(25)14-9-13(10-22)20(26)23(11-14)16-5-3-15(21)4-6-16/h2-9,11,24H,1H3
InChIKeyZARPCUZJHDFBAT-UHFFFAOYSA-N
MW364.79 g/mol
LogP3.61
Rot. Bonds3

About 1-(4-chlorophenyl)-5-(2-hydroxy-5-methylbenzoyl)-2-oxopyridine-3-carbonitrile

1-(4-chlorophenyl)-5-(2-hydroxy-5-methylbenzoyl)-2-oxopyridine-3-carbonitrile (PubChem CID 3301984) has the molecular formula C20H13ClN2O3 and a molecular weight of 364.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-(2-hydroxy-5-methylbenzoyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-(2-hydroxy-5-methylbenzoyl)-2-oxopyridine-3-carbonitrile
PubChem CID3301984
Molecular FormulaC20H13ClN2O3
Molecular Weight364.79 g/mol
Exact Mass364.06
IUPAC Name1-(4-chlorophenyl)-5-(2-hydroxy-5-methylbenzoyl)-2-oxopyridine-3-carbonitrile
SMILESCc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(-c3ccc(Cl)cc3)c2)c1
InChIInChI=1S/C20H13ClN2O3/c1-12-2-7-18(24)17(8-12)19(25)14-9-13(10-22)20(26)23(11-14)16-5-3-15(21)4-6-16/h2-9,11,24H,1H3
InChIKeyZARPCUZJHDFBAT-UHFFFAOYSA-N
XLogP3.61
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.79
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-(2-hydroxy-5-methylbenzoyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-(4-chlorophenyl)-5-(2-hydroxy-5-methylbenzoyl)-2-oxopyridine-3-carbonitrile (CID 3301984) is 1-(4-chlorophenyl)-5-(2-hydroxy-5-methylbenzoyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-(4-chlorophenyl)-5-(2-hydroxy-5-methylbenzoyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-(4-chlorophenyl)-5-(2-hydroxy-5-methylbenzoyl)-2-oxopyridine-3-carbonitrile is Cc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(-c3ccc(Cl)cc3)c2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-5-(2-hydroxy-5-methylbenzoyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is ZARPCUZJHDFBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN2O3/c1-12-2-7-18(24)17(8-12)19(25)14-9-13(10-22)20(26)23(11-14)16-5-3-15(21)4-6-16/h2-9,11,24H,1H3.
What are the key properties of 1-(4-chlorophenyl)-5-(2-hydroxy-5-methylbenzoyl)-2-oxopyridine-3-carbonitrile?
1-(4-chlorophenyl)-5-(2-hydroxy-5-methylbenzoyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 364.79 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-(2-hydroxy-5-methylbenzoyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 3301984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).