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

C13H10BrNO4 — CID 82861278

IUPAC1-(4-bromo-3-methoxyphenyl)-6-oxopyridine-3-carboxylic acid
SMILESCOc1cc(-n2cc(C(=O)O)ccc2=O)ccc1Br
InChIInChI=1S/C13H10BrNO4/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)
InChIKeyADFABLQDSZUJDJ-UHFFFAOYSA-N
MW324.13 g/mol
LogP2.31
Rot. Bonds3

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

1-(4-bromo-3-methoxyphenyl)-6-oxopyridine-3-carboxylic acid (PubChem CID 82861278) has the molecular formula C13H10BrNO4 and a molecular weight of 324.13 g/mol. Its IUPAC name is 1-(4-bromo-3-methoxyphenyl)-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-bromo-3-methoxyphenyl)-6-oxopyridine-3-carboxylic acid
PubChem CID82861278
Molecular FormulaC13H10BrNO4
Molecular Weight324.13 g/mol
Exact Mass322.98
IUPAC Name1-(4-bromo-3-methoxyphenyl)-6-oxopyridine-3-carboxylic acid
SMILESCOc1cc(-n2cc(C(=O)O)ccc2=O)ccc1Br
InChIInChI=1S/C13H10BrNO4/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)
InChIKeyADFABLQDSZUJDJ-UHFFFAOYSA-N
XLogP2.31
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.13
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-3-methoxyphenyl)-6-oxopyridine-3-carboxylic acid
CID 107622967
4-acetyl-1-(4-bromo-3-methoxyphenyl)pyrrole-2-carboxylic acid
CID 114606380
1-(4-bromo-3-methoxyphenyl)pyrrole-2-carboxylic acid
CID 82860291
1-(4-bromo-3-methoxyphenyl)-4-chloropyrrole-2-carboxylic acid
CID 114606378
1-(5-bromo-3-pyridinyl)-6-oxopyridine-3-carboxylic acid
CID 178159594
2-(4-bromo-3-methoxyphenyl)-2-oxoacetic acid
CID 146888636
1-(2-bromo-4-chlorophenyl)-6-oxopyridine-3-carboxylic acid
CID 81275690
6-oxo-1-quinolin-6-ylpyridine-3-carboxylic acid
CID 62636849
1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylic acid
CID 28516966
4-(4-bromo-3-methoxyanilino)-3,5-difluorobenzoic acid
CID 82859212
5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-phenylpyridin-2-one
CID 91954902
4-acetyl-1-(4-chloro-3-methoxyphenyl)pyrrole-2-carboxylic acid
CID 107622788

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methoxyphenyl)-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-(4-bromo-3-methoxyphenyl)-6-oxopyridine-3-carboxylic acid (CID 82861278) is 1-(4-bromo-3-methoxyphenyl)-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-(4-bromo-3-methoxyphenyl)-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-(4-bromo-3-methoxyphenyl)-6-oxopyridine-3-carboxylic acid is COc1cc(-n2cc(C(=O)O)ccc2=O)ccc1Br.
What is the InChIKey of 1-(4-bromo-3-methoxyphenyl)-6-oxopyridine-3-carboxylic acid?
The InChIKey is ADFABLQDSZUJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO4/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-bromo-3-methoxyphenyl)-6-oxopyridine-3-carboxylic acid?
1-(4-bromo-3-methoxyphenyl)-6-oxopyridine-3-carboxylic acid has a molecular weight of 324.13 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methoxyphenyl)-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 82861278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).