4-bromo-2-(3,4-dimethoxyphenyl)-6-methylpyridazin-3-one

C13H13BrN2O3 — CID 138559912

IUPAC4-bromo-2-(3,4-dimethoxyphenyl)-6-methylpyridazin-3-one
SMILESCOc1ccc(-n2nc(C)cc(Br)c2=O)cc1OC
InChIInChI=1S/C13H13BrN2O3/c1-8-6-10(14)13(17)16(15-8)9-4-5-11(18-2)12(7-9)19-3/h4-7H,1-3H3
InChIKeyYTRAYZQLWUSKTO-UHFFFAOYSA-N
MW325.16 g/mol
LogP2.32
Rot. Bonds3

About 4-bromo-2-(3,4-dimethoxyphenyl)-6-methylpyridazin-3-one

4-bromo-2-(3,4-dimethoxyphenyl)-6-methylpyridazin-3-one (PubChem CID 138559912) has the molecular formula C13H13BrN2O3 and a molecular weight of 325.16 g/mol. Its IUPAC name is 4-bromo-2-(3,4-dimethoxyphenyl)-6-methylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-(3,4-dimethoxyphenyl)-6-methylpyridazin-3-one
PubChem CID138559912
Molecular FormulaC13H13BrN2O3
Molecular Weight325.16 g/mol
Exact Mass324.01
IUPAC Name4-bromo-2-(3,4-dimethoxyphenyl)-6-methylpyridazin-3-one
SMILESCOc1ccc(-n2nc(C)cc(Br)c2=O)cc1OC
InChIInChI=1S/C13H13BrN2O3/c1-8-6-10(14)13(17)16(15-8)9-4-5-11(18-2)12(7-9)19-3/h4-7H,1-3H3
InChIKeyYTRAYZQLWUSKTO-UHFFFAOYSA-N
XLogP2.32
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.16
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-oxo-N-(3,4,5-trimethoxyphenyl)-1H-pyridazine-3-carboxamide
CID 2478295
N-(1,3-benzodioxol-5-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 2380499
1-(3,4-dimethoxyphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 708844
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 1503617
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 2469529
N-(3,4-dimethoxyphenyl)-2-(3-methyl-6-oxopyridazin-1(6H)-yl)acetamide
CID 49704465
2-(4-Methoxyphenyl)-6-methyl-3(2H)-pyridazinone
CID 226570
2-[4-(Difluoromethoxy)-3-methoxyphenyl]pyridazin-3-one
CID 67569481
6-Chloro-2-(2-fluoro-5-methoxyphenyl)pyridazin-3-one
CID 129057290
2-[4-(Fluoromethoxy)phenyl]-6-methylpyridazin-3-one
CID 129093133
1-(2-Fluoro-3-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 176072993
6-chloro-2-(4-methoxyphenyl)-3(2H)-pyridazinone
CID 824695

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(3,4-dimethoxyphenyl)-6-methylpyridazin-3-one?
The IUPAC name of 4-bromo-2-(3,4-dimethoxyphenyl)-6-methylpyridazin-3-one (CID 138559912) is 4-bromo-2-(3,4-dimethoxyphenyl)-6-methylpyridazin-3-one.
What is the SMILES notation for 4-bromo-2-(3,4-dimethoxyphenyl)-6-methylpyridazin-3-one?
The canonical SMILES for 4-bromo-2-(3,4-dimethoxyphenyl)-6-methylpyridazin-3-one is COc1ccc(-n2nc(C)cc(Br)c2=O)cc1OC.
What is the InChIKey of 4-bromo-2-(3,4-dimethoxyphenyl)-6-methylpyridazin-3-one?
The InChIKey is YTRAYZQLWUSKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O3/c1-8-6-10(14)13(17)16(15-8)9-4-5-11(18-2)12(7-9)19-3/h4-7H,1-3H3.
What are the key properties of 4-bromo-2-(3,4-dimethoxyphenyl)-6-methylpyridazin-3-one?
4-bromo-2-(3,4-dimethoxyphenyl)-6-methylpyridazin-3-one has a molecular weight of 325.16 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(3,4-dimethoxyphenyl)-6-methylpyridazin-3-one is sourced from PubChem (CID 138559912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).