1-(3-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide

C11H8BrN3O3 — CID 54686262

IUPAC1-(3-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide
SMILESNC(=O)c1nn(-c2cccc(Br)c2)c(=O)cc1O
InChIInChI=1S/C11H8BrN3O3/c12-6-2-1-3-7(4-6)15-9(17)5-8(16)10(14-15)11(13)18/h1-5,16H,(H2,13,18)
InChIKeyMGPYXZJSJIEVCL-UHFFFAOYSA-N
MW310.11 g/mol
LogP0.80
Rot. Bonds2

About 1-(3-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide

1-(3-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide (PubChem CID 54686262) has the molecular formula C11H8BrN3O3 and a molecular weight of 310.11 g/mol. Its IUPAC name is 1-(3-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide
PubChem CID54686262
Molecular FormulaC11H8BrN3O3
Molecular Weight310.11 g/mol
Exact Mass308.97
IUPAC Name1-(3-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide
SMILESNC(=O)c1nn(-c2cccc(Br)c2)c(=O)cc1O
InChIInChI=1S/C11H8BrN3O3/c12-6-2-1-3-7(4-6)15-9(17)5-8(16)10(14-15)11(13)18/h1-5,16H,(H2,13,18)
InChIKeyMGPYXZJSJIEVCL-UHFFFAOYSA-N
XLogP0.80
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.11
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-Hydroxy-6-oxo-1-phenyl-1,6-dihydro-3-pyridazinecarboxamide
CID 54697709
6-Hydroxy-4-oxo-1-phenyl-pyridazine-3-carbohydrazide
CID 54697212
N-(3-bromophenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 945194
Ethyl 1-(3-bromophenyl)-4-methoxy-6-oxo-1,6-dihydropyridazine-3-carboxylate
CID 7386837
N-(3-bromophenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 26842190
1-(4-Fluorophenyl)-4-hydroxy-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 54686263
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-(4-Bromo-2-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid
CID 123464952
1-(4-Bromo-3-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid
CID 123742448
1-(2-Fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide
CID 176046764
6-(Bromomethyl)-2-(2-fluorophenyl)-5-hydroxypyridazin-3-one
CID 82421640

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(3-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide (CID 54686262) is 1-(3-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(3-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(3-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide is NC(=O)c1nn(-c2cccc(Br)c2)c(=O)cc1O.
What is the InChIKey of 1-(3-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide?
The InChIKey is MGPYXZJSJIEVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3O3/c12-6-2-1-3-7(4-6)15-9(17)5-8(16)10(14-15)11(13)18/h1-5,16H,(H2,13,18).
What are the key properties of 1-(3-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide?
1-(3-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide has a molecular weight of 310.11 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 54686262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).