1-(5-chloro-2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid

C13H10ClNO4 — CID 94288870

IUPAC1-(5-chloro-2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid
SMILESCOc1ccc(Cl)cc1-n1cccc(C(=O)O)c1=O
InChIInChI=1S/C13H10ClNO4/c1-19-11-5-4-8(14)7-10(11)15-6-2-3-9(12(15)16)13(17)18/h2-7H,1H3,(H,17,18)
InChIKeyOISOXBIXMJNRBB-UHFFFAOYSA-N
MW279.68 g/mol
LogP2.20
Rot. Bonds3

About 1-(5-chloro-2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid

1-(5-chloro-2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid (PubChem CID 94288870) has the molecular formula C13H10ClNO4 and a molecular weight of 279.68 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid
PubChem CID94288870
Molecular FormulaC13H10ClNO4
Molecular Weight279.68 g/mol
Exact Mass279.03
IUPAC Name1-(5-chloro-2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid
SMILESCOc1ccc(Cl)cc1-n1cccc(C(=O)O)c1=O
InChIInChI=1S/C13H10ClNO4/c1-19-11-5-4-8(14)7-10(11)15-6-2-3-9(12(15)16)13(17)18/h2-7H,1H3,(H,17,18)
InChIKeyOISOXBIXMJNRBB-UHFFFAOYSA-N
XLogP2.20
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.68
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(5-chloro-2-methoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione
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5-chloro-2-(2-methoxyphenyl)benzoic acid
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4-chloro-2-(2-formylpyrrol-1-yl)benzoic acid
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2-(4-chloro-2-methoxyphenoxy)pyridine-3-carboxylic acid
CID 67533760
1-methoxy-2-oxopyridine-3-carboxylic acid
CID 90711575
9-methoxy-4-oxoquinolizine-3-carboxylic acid
CID 56617934
2-(5-chloro-2-methoxyphenyl)-1H-pyrazol-5-one
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CID 16624498

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid (CID 94288870) is 1-(5-chloro-2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid is COc1ccc(Cl)cc1-n1cccc(C(=O)O)c1=O.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid?
The InChIKey is OISOXBIXMJNRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO4/c1-19-11-5-4-8(14)7-10(11)15-6-2-3-9(12(15)16)13(17)18/h2-7H,1H3,(H,17,18).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid?
1-(5-chloro-2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid has a molecular weight of 279.68 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 94288870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).