1-(2-bromo-5-iodophenyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid

C12H7BrINO4 — CID 114261168

IUPAC1-(2-bromo-5-iodophenyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid
SMILESO=C(O)c1cc(O)cc(=O)n1-c1cc(I)ccc1Br
InChIInChI=1S/C12H7BrINO4/c13-8-2-1-6(14)3-9(8)15-10(12(18)19)4-7(16)5-11(15)17/h1-5,16H,(H,18,19)
InChIKeyOWTVRUYGWYBJDB-UHFFFAOYSA-N
MW436.00 g/mol
LogP2.61
Rot. Bonds2

About 1-(2-bromo-5-iodophenyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid

1-(2-bromo-5-iodophenyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid (PubChem CID 114261168) has the molecular formula C12H7BrINO4 and a molecular weight of 436.00 g/mol. Its IUPAC name is 1-(2-bromo-5-iodophenyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-bromo-5-iodophenyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid
PubChem CID114261168
Molecular FormulaC12H7BrINO4
Molecular Weight436.00 g/mol
Exact Mass434.86
IUPAC Name1-(2-bromo-5-iodophenyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid
SMILESO=C(O)c1cc(O)cc(=O)n1-c1cc(I)ccc1Br
InChIInChI=1S/C12H7BrINO4/c13-8-2-1-6(14)3-9(8)15-10(12(18)19)4-7(16)5-11(15)17/h1-5,16H,(H,18,19)
InChIKeyOWTVRUYGWYBJDB-UHFFFAOYSA-N
XLogP2.61
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.00
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-1-(4-iodophenyl)-6-oxopyridine-2-carboxylic acid
CID 114207415
1-(3-bromo-2-methylphenyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid
CID 114207598
4-hydroxy-1-(3-iodophenyl)-6-oxopyridine-2-carboxylic acid
CID 114207413
1-(4-fluoro-2-iodophenyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid
CID 114207533
4-acetyl-1-(2-bromo-5-iodophenyl)pyrrole-2-carboxylic acid
CID 114261073
3-(2-bromo-5-iodophenyl)-1,3-oxazolidin-2-one
CID 130498812
4-bromo-1-(2-chloro-4-iodophenyl)pyrrole-2-carboxylic acid
CID 107607535
5-(2-bromo-5-iodophenyl)-1-propan-2-ylpyrrole-2-carboxylic acid
CID 114261132
(2-bromo-5-iodophenyl)-piperidin-1-ylmethanone
CID 103988956
(2-bromo-5-iodophenyl)boronic acid
CID 74892423
1-(2-bromo-4-iodophenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 114260944
4-bromo-1-(2-bromo-5-chlorophenyl)pyrrole-2-carboxylic acid
CID 114606205

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-iodophenyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid?
The IUPAC name of 1-(2-bromo-5-iodophenyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid (CID 114261168) is 1-(2-bromo-5-iodophenyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid.
What is the SMILES notation for 1-(2-bromo-5-iodophenyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid?
The canonical SMILES for 1-(2-bromo-5-iodophenyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid is O=C(O)c1cc(O)cc(=O)n1-c1cc(I)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-iodophenyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid?
The InChIKey is OWTVRUYGWYBJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrINO4/c13-8-2-1-6(14)3-9(8)15-10(12(18)19)4-7(16)5-11(15)17/h1-5,16H,(H,18,19).
What are the key properties of 1-(2-bromo-5-iodophenyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid?
1-(2-bromo-5-iodophenyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid has a molecular weight of 436.00 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-iodophenyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid is sourced from PubChem (CID 114261168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).