1-(4-bromo-2-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid

C11H6BrFN2O4 — CID 123464952

IUPAC1-(4-bromo-2-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid
SMILESO=C(O)c1nn(-c2ccc(Br)cc2F)c(=O)cc1O
InChIInChI=1S/C11H6BrFN2O4/c12-5-1-2-7(6(13)3-5)15-9(17)4-8(16)10(14-15)11(18)19/h1-4,16H,(H,18,19)
InChIKeyDYKJRXHTSAXXKN-UHFFFAOYSA-N
MW329.08 g/mol
LogP1.54
Rot. Bonds2

About 1-(4-bromo-2-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid

1-(4-bromo-2-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid (PubChem CID 123464952) has the molecular formula C11H6BrFN2O4 and a molecular weight of 329.08 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid
PubChem CID123464952
Molecular FormulaC11H6BrFN2O4
Molecular Weight329.08 g/mol
Exact Mass327.95
IUPAC Name1-(4-bromo-2-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid
SMILESO=C(O)c1nn(-c2ccc(Br)cc2F)c(=O)cc1O
InChIInChI=1S/C11H6BrFN2O4/c12-5-1-2-7(6(13)3-5)15-9(17)4-8(16)10(14-15)11(18)19/h1-4,16H,(H,18,19)
InChIKeyDYKJRXHTSAXXKN-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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Related Compounds

Methyl 1,6-dihydro-4-hydroxy-6-oxo-1-phenyl-3-pyridazinecarboxylate
CID 54686161
4-Hydroxy-6-oxo-1-phenyl-1,6-dihydropyridazine-3-carboxylic acid
CID 54706064
Ethyl 1-(3-bromophenyl)-4-methoxy-6-oxo-1,6-dihydropyridazine-3-carboxylate
CID 7386837
1-(3-Bromophenyl)-4-hydroxy-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 54686262
Ethyl 1-(4-fluorophenyl)-4-hydroxy-6-oxo-1,6-dihydropyridazine-3-carboxylate
CID 54699288
1-(4-Fluorophenyl)-4-hydroxy-6-oxo-1,6-dihydropyridazine-3-carboxylic acid
CID 54729766
Methyl 1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylate
CID 57768495
4-(4-Bromo-2-fluorophenylamino)-6-oxo-1-phenyl-1,6-dihydropyridazine-3-carboxylic acid
CID 66673960
4-(4-Bromo-2-fluoroanilino)-1-methyl-6-oxopyridazine-3-carboxylic acid
CID 67051513
Methyl 1-(4-bromo-3-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylate
CID 67444806
Methyl 1-(4-bromo-2-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylate
CID 67445763
1-(3-Fluorophenyl)-4-hydroxy-6-oxo-1,6-dihydropyridazine-3-carboxylic acid
CID 75355638

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid (CID 123464952) is 1-(4-bromo-2-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid is O=C(O)c1nn(-c2ccc(Br)cc2F)c(=O)cc1O.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid?
The InChIKey is DYKJRXHTSAXXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrFN2O4/c12-5-1-2-7(6(13)3-5)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-2-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid?
1-(4-bromo-2-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-2-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid is sourced from PubChem (CID 123464952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).