1-(4-bromo-3-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid

C11H6BrFN2O4 — CID 123742448

IUPAC1-(4-bromo-3-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid
SMILESO=C(O)c1nn(-c2ccc(Br)c(F)c2)c(=O)cc1O
InChIInChI=1S/C11H6BrFN2O4/c12-6-2-1-5(3-7(6)13)15-9(17)4-8(16)10(14-15)11(18)19/h1-4,16H,(H,18,19)
InChIKeyJGPCSQKGAUBSNX-UHFFFAOYSA-N
MW329.08 g/mol
LogP1.54
Rot. Bonds2

About 1-(4-bromo-3-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid

1-(4-bromo-3-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid (PubChem CID 123742448) has the molecular formula C11H6BrFN2O4 and a molecular weight of 329.08 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid
PubChem CID123742448
Molecular FormulaC11H6BrFN2O4
Molecular Weight329.08 g/mol
Exact Mass327.95
IUPAC Name1-(4-bromo-3-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid
SMILESO=C(O)c1nn(-c2ccc(Br)c(F)c2)c(=O)cc1O
InChIInChI=1S/C11H6BrFN2O4/c12-6-2-1-5(3-7(6)13)15-9(17)4-8(16)10(14-15)11(18)19/h1-4,16H,(H,18,19)
InChIKeyJGPCSQKGAUBSNX-UHFFFAOYSA-N
XLogP1.54
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.08
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid (CID 123742448) is 1-(4-bromo-3-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid is O=C(O)c1nn(-c2ccc(Br)c(F)c2)c(=O)cc1O.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid?
The InChIKey is JGPCSQKGAUBSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrFN2O4/c12-6-2-1-5(3-7(6)13)15-9(17)4-8(16)10(14-15)11(18)19/h1-4,16H,(H,18,19).
What are the key properties of 1-(4-bromo-3-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid?
1-(4-bromo-3-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid has a molecular weight of 329.08 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid is sourced from PubChem (CID 123742448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).