1-(4-chloro-3-methoxyphenyl)-6-oxopyridine-3-carboxylic acid

C13H10ClNO4 — CID 107622967

IUPAC1-(4-chloro-3-methoxyphenyl)-6-oxopyridine-3-carboxylic acid
SMILESCOc1cc(-n2cc(C(=O)O)ccc2=O)ccc1Cl
InChIInChI=1S/C13H10ClNO4/c1-19-11-6-9(3-4-10(11)14)15-7-8(13(17)18)2-5-12(15)16/h2-7H,1H3,(H,17,18)
InChIKeyUNXYZZBEYITUJX-UHFFFAOYSA-N
MW279.68 g/mol
LogP2.20
Rot. Bonds3

About 1-(4-chloro-3-methoxyphenyl)-6-oxopyridine-3-carboxylic acid

1-(4-chloro-3-methoxyphenyl)-6-oxopyridine-3-carboxylic acid (PubChem CID 107622967) has the molecular formula C13H10ClNO4 and a molecular weight of 279.68 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-6-oxopyridine-3-carboxylic acid
PubChem CID107622967
Molecular FormulaC13H10ClNO4
Molecular Weight279.68 g/mol
Exact Mass279.03
IUPAC Name1-(4-chloro-3-methoxyphenyl)-6-oxopyridine-3-carboxylic acid
SMILESCOc1cc(-n2cc(C(=O)O)ccc2=O)ccc1Cl
InChIInChI=1S/C13H10ClNO4/c1-19-11-6-9(3-4-10(11)14)15-7-8(13(17)18)2-5-12(15)16/h2-7H,1H3,(H,17,18)
InChIKeyUNXYZZBEYITUJX-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

1-(4-bromo-3-methoxyphenyl)-6-oxopyridine-3-carboxylic acid
CID 82861278
4-acetyl-1-(4-chloro-3-methoxyphenyl)pyrrole-2-carboxylic acid
CID 107622788
2-(4-chloro-3-methoxyphenyl)-2-oxoacetic acid
CID 131014896
1-(4-chloro-3-methoxyphenyl)ethanone
CID 18699227
1-(4-bromo-3-methoxyphenyl)-4-chloropyrrole-2-carboxylic acid
CID 114606378
6-oxo-1-quinolin-6-ylpyridine-3-carboxylic acid
CID 62636849
4-acetyl-1-(4-bromo-3-methoxyphenyl)pyrrole-2-carboxylic acid
CID 114606380
2-(4-chloro-2,5-dimethoxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 983705
4-chloro-3-(5-chloro-2-methoxyphenyl)benzoic acid
CID 53227581
1-(4-chloro-3-methoxyphenyl)pyrrolidine-2,3-dione
CID 107622002
3-(2,5-dichlorophenyl)-4-methoxybenzoic acid
CID 54912392
1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylic acid
CID 28516966

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-6-oxopyridine-3-carboxylic acid (CID 107622967) is 1-(4-chloro-3-methoxyphenyl)-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-6-oxopyridine-3-carboxylic acid is COc1cc(-n2cc(C(=O)O)ccc2=O)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-6-oxopyridine-3-carboxylic acid?
The InChIKey is UNXYZZBEYITUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO4/c1-19-11-6-9(3-4-10(11)14)15-7-8(13(17)18)2-5-12(15)16/h2-7H,1H3,(H,17,18).
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-6-oxopyridine-3-carboxylic acid?
1-(4-chloro-3-methoxyphenyl)-6-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-(4-chloro-3-methoxyphenyl)-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 107622967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).