2-bromo-5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid

C6H4BrNO4 — CID 130407653

IUPAC2-bromo-5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid
SMILESO=C(O)C1=C(O)C(=O)CC(Br)=N1
InChIInChI=1S/C6H4BrNO4/c7-3-1-2(9)5(10)4(8-3)6(11)12/h10H,1H2,(H,11,12)
InChIKeyRVCICEJYEHCUDG-UHFFFAOYSA-N
MW234.00 g/mol
LogP0.61
Rot. Bonds1

About 2-bromo-5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid

2-bromo-5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid (PubChem CID 130407653) has the molecular formula C6H4BrNO4 and a molecular weight of 234.00 g/mol. Its IUPAC name is 2-bromo-5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-bromo-5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid
PubChem CID130407653
Molecular FormulaC6H4BrNO4
Molecular Weight234.00 g/mol
Exact Mass232.93
IUPAC Name2-bromo-5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid
SMILESO=C(O)C1=C(O)C(=O)CC(Br)=N1
InChIInChI=1S/C6H4BrNO4/c7-3-1-2(9)5(10)4(8-3)6(11)12/h10H,1H2,(H,11,12)
InChIKeyRVCICEJYEHCUDG-UHFFFAOYSA-N
XLogP0.61
TPSA86.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.00
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid
CID 68500745
5-hydroxy-2-methyl-4-oxo-3H-pyridine-6-carboxylic acid
CID 130407765

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid?
The IUPAC name of 2-bromo-5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid (CID 130407653) is 2-bromo-5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid.
What is the SMILES notation for 2-bromo-5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid?
The canonical SMILES for 2-bromo-5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid is O=C(O)C1=C(O)C(=O)CC(Br)=N1.
What is the InChIKey of 2-bromo-5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid?
The InChIKey is RVCICEJYEHCUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrNO4/c7-3-1-2(9)5(10)4(8-3)6(11)12/h10H,1H2,(H,11,12).
What are the key properties of 2-bromo-5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid?
2-bromo-5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid has a molecular weight of 234.00 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid is sourced from PubChem (CID 130407653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).