1-(3-bromo-2-methylphenyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid

C13H10BrNO4 — CID 114207598

IUPAC1-(3-bromo-2-methylphenyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid
SMILESCc1c(Br)cccc1-n1c(C(=O)O)cc(O)cc1=O
InChIInChI=1S/C13H10BrNO4/c1-7-9(14)3-2-4-10(7)15-11(13(18)19)5-8(16)6-12(15)17/h2-6,16H,1H3,(H,18,19)
InChIKeyUEQLDZJJMLARLG-UHFFFAOYSA-N
MW324.13 g/mol
LogP2.31
Rot. Bonds2

About 1-(3-bromo-2-methylphenyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid

1-(3-bromo-2-methylphenyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid (PubChem CID 114207598) has the molecular formula C13H10BrNO4 and a molecular weight of 324.13 g/mol. Its IUPAC name is 1-(3-bromo-2-methylphenyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-bromo-2-methylphenyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid
PubChem CID114207598
Molecular FormulaC13H10BrNO4
Molecular Weight324.13 g/mol
Exact Mass322.98
IUPAC Name1-(3-bromo-2-methylphenyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid
SMILESCc1c(Br)cccc1-n1c(C(=O)O)cc(O)cc1=O
InChIInChI=1S/C13H10BrNO4/c1-7-9(14)3-2-4-10(7)15-11(13(18)19)5-8(16)6-12(15)17/h2-6,16H,1H3,(H,18,19)
InChIKeyUEQLDZJJMLARLG-UHFFFAOYSA-N
XLogP2.31
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.13
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methylphenyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid?
The IUPAC name of 1-(3-bromo-2-methylphenyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid (CID 114207598) is 1-(3-bromo-2-methylphenyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid.
What is the SMILES notation for 1-(3-bromo-2-methylphenyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid?
The canonical SMILES for 1-(3-bromo-2-methylphenyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid is Cc1c(Br)cccc1-n1c(C(=O)O)cc(O)cc1=O.
What is the InChIKey of 1-(3-bromo-2-methylphenyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid?
The InChIKey is UEQLDZJJMLARLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO4/c1-7-9(14)3-2-4-10(7)15-11(13(18)19)5-8(16)6-12(15)17/h2-6,16H,1H3,(H,18,19).
What are the key properties of 1-(3-bromo-2-methylphenyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid?
1-(3-bromo-2-methylphenyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid has a molecular weight of 324.13 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-methylphenyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid is sourced from PubChem (CID 114207598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).