1-[(3-bromo-4-methoxyphenyl)methyl]-2-oxopyridine-4-carboxylic acid

C14H12BrNO4 — CID 82901962

IUPAC1-[(3-bromo-4-methoxyphenyl)methyl]-2-oxopyridine-4-carboxylic acid
SMILESCOc1ccc(Cn2ccc(C(=O)O)cc2=O)cc1Br
InChIInChI=1S/C14H12BrNO4/c1-20-12-3-2-9(6-11(12)15)8-16-5-4-10(14(18)19)7-13(16)17/h2-7H,8H2,1H3,(H,18,19)
InChIKeyWZFGNBDXBXPHLD-UHFFFAOYSA-N
MW338.16 g/mol
LogP2.37
Rot. Bonds4

About 1-[(3-bromo-4-methoxyphenyl)methyl]-2-oxopyridine-4-carboxylic acid

1-[(3-bromo-4-methoxyphenyl)methyl]-2-oxopyridine-4-carboxylic acid (PubChem CID 82901962) has the molecular formula C14H12BrNO4 and a molecular weight of 338.16 g/mol. Its IUPAC name is 1-[(3-bromo-4-methoxyphenyl)methyl]-2-oxopyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(3-bromo-4-methoxyphenyl)methyl]-2-oxopyridine-4-carboxylic acid
PubChem CID82901962
Molecular FormulaC14H12BrNO4
Molecular Weight338.16 g/mol
Exact Mass336.99
IUPAC Name1-[(3-bromo-4-methoxyphenyl)methyl]-2-oxopyridine-4-carboxylic acid
SMILESCOc1ccc(Cn2ccc(C(=O)O)cc2=O)cc1Br
InChIInChI=1S/C14H12BrNO4/c1-20-12-3-2-9(6-11(12)15)8-16-5-4-10(14(18)19)7-13(16)17/h2-7H,8H2,1H3,(H,18,19)
InChIKeyWZFGNBDXBXPHLD-UHFFFAOYSA-N
XLogP2.37
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.16
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methoxyphenyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 80502819
4-[(3-bromo-4-methoxyphenyl)methoxy]-3-methoxybenzoic acid
CID 45397817
3-[(3-bromo-4-methoxyphenyl)methyl]-6-methylpyrimidin-4-one
CID 54970847
1-[(3-bromo-4-methoxyphenyl)methyl]pyridin-4-one
CID 55127426
1-[(3-bromo-4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-one
CID 60673927
1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylic acid
CID 28516966
1-[1-[(3-bromo-4-methoxyphenyl)methyl]pyrrol-3-yl]propan-1-one
CID 79098854
[1-[(3-bromo-4-methoxyphenyl)methyl]indol-5-yl]methanol
CID 102912864
3-[(3-bromo-4-methoxyphenyl)methoxy]benzoic acid
CID 45286749
3-bromo-4-(3-bromo-4-methoxybenzoyl)oxybenzoic acid
CID 54854455
4-amino-1-[(3,4-dimethoxyphenyl)methyl]pyridin-2-one
CID 82484402
5-bromo-1-[(3-bromo-4-methoxyphenyl)methyl]indole
CID 116619613

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-4-methoxyphenyl)methyl]-2-oxopyridine-4-carboxylic acid?
The IUPAC name of 1-[(3-bromo-4-methoxyphenyl)methyl]-2-oxopyridine-4-carboxylic acid (CID 82901962) is 1-[(3-bromo-4-methoxyphenyl)methyl]-2-oxopyridine-4-carboxylic acid.
What is the SMILES notation for 1-[(3-bromo-4-methoxyphenyl)methyl]-2-oxopyridine-4-carboxylic acid?
The canonical SMILES for 1-[(3-bromo-4-methoxyphenyl)methyl]-2-oxopyridine-4-carboxylic acid is COc1ccc(Cn2ccc(C(=O)O)cc2=O)cc1Br.
What is the InChIKey of 1-[(3-bromo-4-methoxyphenyl)methyl]-2-oxopyridine-4-carboxylic acid?
The InChIKey is WZFGNBDXBXPHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO4/c1-20-12-3-2-9(6-11(12)15)8-16-5-4-10(14(18)19)7-13(16)17/h2-7H,8H2,1H3,(H,18,19).
What are the key properties of 1-[(3-bromo-4-methoxyphenyl)methyl]-2-oxopyridine-4-carboxylic acid?
1-[(3-bromo-4-methoxyphenyl)methyl]-2-oxopyridine-4-carboxylic acid has a molecular weight of 338.16 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-4-methoxyphenyl)methyl]-2-oxopyridine-4-carboxylic acid is sourced from PubChem (CID 82901962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).