5-(5-chloro-2-hydroxybenzoyl)-1-(2-methoxyphenyl)-2-oxopyridine-3-carbonitrile

C20H13ClN2O4 — CID 2367263

IUPAC5-(5-chloro-2-hydroxybenzoyl)-1-(2-methoxyphenyl)-2-oxopyridine-3-carbonitrile
SMILESCOc1ccccc1-n1cc(C(=O)c2cc(Cl)ccc2O)cc(C#N)c1=O
InChIInChI=1S/C20H13ClN2O4/c1-27-18-5-3-2-4-16(18)23-11-13(8-12(10-22)20(23)26)19(25)15-9-14(21)6-7-17(15)24/h2-9,11,24H,1H3
InChIKeyCBSYKBJUKZYODB-UHFFFAOYSA-N
MW380.79 g/mol
LogP3.31
Rot. Bonds4

About 5-(5-chloro-2-hydroxybenzoyl)-1-(2-methoxyphenyl)-2-oxopyridine-3-carbonitrile

5-(5-chloro-2-hydroxybenzoyl)-1-(2-methoxyphenyl)-2-oxopyridine-3-carbonitrile (PubChem CID 2367263) has the molecular formula C20H13ClN2O4 and a molecular weight of 380.79 g/mol. Its IUPAC name is 5-(5-chloro-2-hydroxybenzoyl)-1-(2-methoxyphenyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(5-chloro-2-hydroxybenzoyl)-1-(2-methoxyphenyl)-2-oxopyridine-3-carbonitrile
PubChem CID2367263
Molecular FormulaC20H13ClN2O4
Molecular Weight380.79 g/mol
Exact Mass380.06
IUPAC Name5-(5-chloro-2-hydroxybenzoyl)-1-(2-methoxyphenyl)-2-oxopyridine-3-carbonitrile
SMILESCOc1ccccc1-n1cc(C(=O)c2cc(Cl)ccc2O)cc(C#N)c1=O
InChIInChI=1S/C20H13ClN2O4/c1-27-18-5-3-2-4-16(18)23-11-13(8-12(10-22)20(23)26)19(25)15-9-14(21)6-7-17(15)24/h2-9,11,24H,1H3
InChIKeyCBSYKBJUKZYODB-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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Related Compounds

5-(2-hydroxy-5-methylbenzoyl)-1-(2-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 2368060
1-(2-ethoxyphenyl)-5-(2-hydroxy-5-methoxybenzoyl)-2-oxopyridine-3-carbonitrile
CID 2369250
5-(5-chloro-2-hydroxybenzoyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxopyridine-3-carbonitrile
CID 2378028
3-acetyl-5-(2-hydroxy-5-methylbenzoyl)-1-(2-methoxyphenyl)pyridin-2-one
CID 17475128
1-(4-chlorophenyl)-5-(2-hydroxy-5-methylbenzoyl)-2-oxopyridine-3-carbonitrile
CID 3301984
5-(2-hydroxy-5-methoxybenzoyl)-2-oxo-1-(4-phenoxyphenyl)pyridine-3-carbonitrile
CID 3613028
5-(5-chloro-2-hydroxybenzoyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 2537858
5-(2-hydroxy-5-methoxybenzoyl)-2-oxo-1-(1,3-thiazol-3-ium-2-yl)pyridine-3-carbonitrile
CID 7815955
5-(5-bromo-2-hydroxybenzoyl)-1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carbonitrile
CID 4036984
5-(5-bromo-2-hydroxybenzoyl)-1-(1-methoxypropan-2-yl)-2-oxopyridine-3-carbonitrile
CID 22109223
5-(5-bromo-2-hydroxybenzoyl)-2-oxo-1-[(1R)-1-phenylethyl]pyridine-3-carbonitrile
CID 41071133
5-(5-bromo-2-hydroxybenzoyl)-2-oxo-1-(1,3-thiazol-2-yl)pyridine-3-carbonitrile
CID 2378025

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-hydroxybenzoyl)-1-(2-methoxyphenyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 5-(5-chloro-2-hydroxybenzoyl)-1-(2-methoxyphenyl)-2-oxopyridine-3-carbonitrile (CID 2367263) is 5-(5-chloro-2-hydroxybenzoyl)-1-(2-methoxyphenyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 5-(5-chloro-2-hydroxybenzoyl)-1-(2-methoxyphenyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 5-(5-chloro-2-hydroxybenzoyl)-1-(2-methoxyphenyl)-2-oxopyridine-3-carbonitrile is COc1ccccc1-n1cc(C(=O)c2cc(Cl)ccc2O)cc(C#N)c1=O.
What is the InChIKey of 5-(5-chloro-2-hydroxybenzoyl)-1-(2-methoxyphenyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is CBSYKBJUKZYODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN2O4/c1-27-18-5-3-2-4-16(18)23-11-13(8-12(10-22)20(23)26)19(25)15-9-14(21)6-7-17(15)24/h2-9,11,24H,1H3.
What are the key properties of 5-(5-chloro-2-hydroxybenzoyl)-1-(2-methoxyphenyl)-2-oxopyridine-3-carbonitrile?
5-(5-chloro-2-hydroxybenzoyl)-1-(2-methoxyphenyl)-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 5-(5-chloro-2-hydroxybenzoyl)-1-(2-methoxyphenyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 2367263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).