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

C20H13ClN2O4 — CID 2368032

IUPAC1-(4-chlorophenyl)-5-(2-hydroxy-5-methoxybenzoyl)-2-oxopyridine-3-carbonitrile
SMILESCOc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(-c3ccc(Cl)cc3)c2)c1
InChIInChI=1S/C20H13ClN2O4/c1-27-16-6-7-18(24)17(9-16)19(25)13-8-12(10-22)20(26)23(11-13)15-4-2-14(21)3-5-15/h2-9,11,24H,1H3
InChIKeyTUJIUAQQIUIIFT-UHFFFAOYSA-N
MW380.79 g/mol
LogP3.31
Rot. Bonds4

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

1-(4-chlorophenyl)-5-(2-hydroxy-5-methoxybenzoyl)-2-oxopyridine-3-carbonitrile (PubChem CID 2368032) has the molecular formula C20H13ClN2O4 and a molecular weight of 380.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-(2-hydroxy-5-methoxybenzoyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-(2-hydroxy-5-methoxybenzoyl)-2-oxopyridine-3-carbonitrile
PubChem CID2368032
Molecular FormulaC20H13ClN2O4
Molecular Weight380.79 g/mol
Exact Mass380.06
IUPAC Name1-(4-chlorophenyl)-5-(2-hydroxy-5-methoxybenzoyl)-2-oxopyridine-3-carbonitrile
SMILESCOc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(-c3ccc(Cl)cc3)c2)c1
InChIInChI=1S/C20H13ClN2O4/c1-27-16-6-7-18(24)17(9-16)19(25)13-8-12(10-22)20(26)23(11-13)15-4-2-14(21)3-5-15/h2-9,11,24H,1H3
InChIKeyTUJIUAQQIUIIFT-UHFFFAOYSA-N
XLogP3.31
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.79
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-(2-hydroxy-5-methoxybenzoyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-(4-chlorophenyl)-5-(2-hydroxy-5-methoxybenzoyl)-2-oxopyridine-3-carbonitrile (CID 2368032) is 1-(4-chlorophenyl)-5-(2-hydroxy-5-methoxybenzoyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-(4-chlorophenyl)-5-(2-hydroxy-5-methoxybenzoyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-(4-chlorophenyl)-5-(2-hydroxy-5-methoxybenzoyl)-2-oxopyridine-3-carbonitrile is COc1ccc(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-methoxybenzoyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is TUJIUAQQIUIIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN2O4/c1-27-16-6-7-18(24)17(9-16)19(25)13-8-12(10-22)20(26)23(11-13)15-4-2-14(21)3-5-15/h2-9,11,24H,1H3.
What are the key properties of 1-(4-chlorophenyl)-5-(2-hydroxy-5-methoxybenzoyl)-2-oxopyridine-3-carbonitrile?
1-(4-chlorophenyl)-5-(2-hydroxy-5-methoxybenzoyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 380.79 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-(2-hydroxy-5-methoxybenzoyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 2368032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).