4-(3-bromo-4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid

C13H10BrNO4 — CID 84605719

IUPAC4-(3-bromo-4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCOc1ccc(-c2cc[nH]c(=O)c2C(=O)O)cc1Br
InChIInChI=1S/C13H10BrNO4/c1-19-10-3-2-7(6-9(10)14)8-4-5-15-12(16)11(8)13(17)18/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyGVTLQRGARRVWLO-UHFFFAOYSA-N
MW324.13 g/mol
LogP2.51
Rot. Bonds3

About 4-(3-bromo-4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid

4-(3-bromo-4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 84605719) has the molecular formula C13H10BrNO4 and a molecular weight of 324.13 g/mol. Its IUPAC name is 4-(3-bromo-4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(3-bromo-4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID84605719
Molecular FormulaC13H10BrNO4
Molecular Weight324.13 g/mol
Exact Mass322.98
IUPAC Name4-(3-bromo-4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCOc1ccc(-c2cc[nH]c(=O)c2C(=O)O)cc1Br
InChIInChI=1S/C13H10BrNO4/c1-19-10-3-2-7(6-9(10)14)8-4-5-15-12(16)11(8)13(17)18/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyGVTLQRGARRVWLO-UHFFFAOYSA-N
XLogP2.51
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.13
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-bromo-4-methoxyphenyl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid
CID 116821473
2-(3-bromo-4-methoxyphenyl)indolizine-1-carboxylic acid
CID 3360201
3-(3-chloro-4-methoxyphenyl)-1H-pyrrole-2-carboxylic acid
CID 79324952
4-(3,4-dimethoxyphenyl)-3-phenyl-1H-pyridin-2-one
CID 56927226
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-phenyl-1H-pyridin-2-one
CID 110649182
5-(3-bromo-4-methoxyphenyl)-1-methylpyrrole-2-carboxylic acid
CID 82095061
4-(3-bromo-4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 82135516
3-bromo-5-(3,4-dimethoxyphenyl)pyridine-4-carboxylic acid;nitrous acid
CID 175589374
3-bromo-4-methoxy-1H-pyridin-2-one
CID 119088071
2-[2-(3-bromo-4-methoxyphenyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetic acid
CID 136827159
2-[4-(3-bromo-4-methoxyphenyl)-1-methylpyrazol-5-yl]acetic acid
CID 84606316
6-bromo-2,3-dimethoxybenzoic acid
CID 11054430

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 4-(3-bromo-4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid (CID 84605719) is 4-(3-bromo-4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(3-bromo-4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 4-(3-bromo-4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid is COc1ccc(-c2cc[nH]c(=O)c2C(=O)O)cc1Br.
What is the InChIKey of 4-(3-bromo-4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is GVTLQRGARRVWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO4/c1-19-10-3-2-7(6-9(10)14)8-4-5-15-12(16)11(8)13(17)18/h2-6H,1H3,(H,15,16)(H,17,18).
What are the key properties of 4-(3-bromo-4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
4-(3-bromo-4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 324.13 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 84605719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).