3-bromo-6-(4-methoxy-2,5-dimethylphenyl)pyridazine

C13H13BrN2O — CID 82094372

IUPAC3-bromo-6-(4-methoxy-2,5-dimethylphenyl)pyridazine
SMILESCOc1cc(C)c(-c2ccc(Br)nn2)cc1C
InChIInChI=1S/C13H13BrN2O/c1-8-7-12(17-3)9(2)6-10(8)11-4-5-13(14)16-15-11/h4-7H,1-3H3
InChIKeyHVKJQGDTDPUUMC-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.53
Rot. Bonds2

About 3-bromo-6-(4-methoxy-2,5-dimethylphenyl)pyridazine

3-bromo-6-(4-methoxy-2,5-dimethylphenyl)pyridazine (PubChem CID 82094372) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is 3-bromo-6-(4-methoxy-2,5-dimethylphenyl)pyridazine.

Molecular Properties

Compound Name3-bromo-6-(4-methoxy-2,5-dimethylphenyl)pyridazine
PubChem CID82094372
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name3-bromo-6-(4-methoxy-2,5-dimethylphenyl)pyridazine
SMILESCOc1cc(C)c(-c2ccc(Br)nn2)cc1C
InChIInChI=1S/C13H13BrN2O/c1-8-7-12(17-3)9(2)6-10(8)11-4-5-13(14)16-15-11/h4-7H,1-3H3
InChIKeyHVKJQGDTDPUUMC-UHFFFAOYSA-N
XLogP3.53
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-6-(2-methoxy-4,5-dimethylphenyl)pyridazine
CID 82094371
6-(2,5-dimethoxy-4-methylphenyl)pyridazin-3-amine
CID 82478943
4-(4-methoxy-2,5-dimethylphenyl)-2-methyl-1,3-thiazole
CID 82129098
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
1-(4-bromophenyl)-2-methoxy-4,5-dimethylbenzene
CID 83666215
6-bromo-2-(4-methoxy-2,5-dimethylphenyl)imidazo[1,2-a]pyrimidine
CID 83779639
5-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazole
CID 116869027
ethane;1-methoxy-2,4,5-trimethylbenzene
CID 143418687
2-(4-methoxy-2,5-dimethylphenyl)pyridine-4-carboxylic acid
CID 82299850
1-bromo-4-methoxy-2,5-dimethylbenzene;hydrobromide
CID 157211395
5-(4-methoxy-2,5-dimethylphenyl)-1,2-oxazole
CID 116868805
4-methoxy-2-(4-methoxy-2,5-dimethylphenyl)-1,3-thiazole
CID 116891772

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(4-methoxy-2,5-dimethylphenyl)pyridazine?
The IUPAC name of 3-bromo-6-(4-methoxy-2,5-dimethylphenyl)pyridazine (CID 82094372) is 3-bromo-6-(4-methoxy-2,5-dimethylphenyl)pyridazine.
What is the SMILES notation for 3-bromo-6-(4-methoxy-2,5-dimethylphenyl)pyridazine?
The canonical SMILES for 3-bromo-6-(4-methoxy-2,5-dimethylphenyl)pyridazine is COc1cc(C)c(-c2ccc(Br)nn2)cc1C.
What is the InChIKey of 3-bromo-6-(4-methoxy-2,5-dimethylphenyl)pyridazine?
The InChIKey is HVKJQGDTDPUUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c1-8-7-12(17-3)9(2)6-10(8)11-4-5-13(14)16-15-11/h4-7H,1-3H3.
What are the key properties of 3-bromo-6-(4-methoxy-2,5-dimethylphenyl)pyridazine?
3-bromo-6-(4-methoxy-2,5-dimethylphenyl)pyridazine has a molecular weight of 293.16 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(4-methoxy-2,5-dimethylphenyl)pyridazine is sourced from PubChem (CID 82094372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).