2-(3-bromo-2,2-dimethylpropyl)-6-methoxypyridazin-3-one

C10H15BrN2O2 — CID 105061598

IUPAC2-(3-bromo-2,2-dimethylpropyl)-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CC(C)(C)CBr)n1
InChIInChI=1S/C10H15BrN2O2/c1-10(2,6-11)7-13-9(14)5-4-8(12-13)15-3/h4-5H,6-7H2,1-3H3
InChIKeyPAUSEYIBVXLAMV-UHFFFAOYSA-N
MW275.15 g/mol
LogP1.67
Rot. Bonds4

About 2-(3-bromo-2,2-dimethylpropyl)-6-methoxypyridazin-3-one

2-(3-bromo-2,2-dimethylpropyl)-6-methoxypyridazin-3-one (PubChem CID 105061598) has the molecular formula C10H15BrN2O2 and a molecular weight of 275.15 g/mol. Its IUPAC name is 2-(3-bromo-2,2-dimethylpropyl)-6-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-(3-bromo-2,2-dimethylpropyl)-6-methoxypyridazin-3-one
PubChem CID105061598
Molecular FormulaC10H15BrN2O2
Molecular Weight275.15 g/mol
Exact Mass274.03
IUPAC Name2-(3-bromo-2,2-dimethylpropyl)-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CC(C)(C)CBr)n1
InChIInChI=1S/C10H15BrN2O2/c1-10(2,6-11)7-13-9(14)5-4-8(12-13)15-3/h4-5H,6-7H2,1-3H3
InChIKeyPAUSEYIBVXLAMV-UHFFFAOYSA-N
XLogP1.67
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-Methoxy-2-propylpyridazin-3-one
CID 131085900
2,4-Bis(bromomethyl)-6-methoxypyridazin-3-one
CID 85709633
2-(5-Bromopentyl)-6-methoxypyridazin-3-one
CID 105061590
2-[[1-(Bromomethyl)cyclopropyl]methyl]-6-methoxypyridazin-3-one
CID 105061591
2-[2-(Bromomethyl)-3-methylbutyl]-6-methoxypyridazin-3-one
CID 105061592
2-[2-(Bromomethyl)butyl]-6-methoxypyridazin-3-one
CID 105061593
2-[2-(Bromomethyl)pentyl]-6-methoxypyridazin-3-one
CID 105061594
2-(4-Bromobutyl)-6-methoxypyridazin-3-one
CID 105061596
2-[2-(Bromomethyl)-3,3-dimethylbutyl]-6-methoxypyridazin-3-one
CID 105061599
2-(2-Bromoethyl)-6-methoxypyridazin-3-one
CID 105061600
2-(3-Bromopropyl)-6-methoxypyridazin-3-one
CID 105061601
2-[2-(Bromomethyl)-2-ethylbutyl]-6-methoxypyridazin-3-one
CID 105061603

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,2-dimethylpropyl)-6-methoxypyridazin-3-one?
The IUPAC name of 2-(3-bromo-2,2-dimethylpropyl)-6-methoxypyridazin-3-one (CID 105061598) is 2-(3-bromo-2,2-dimethylpropyl)-6-methoxypyridazin-3-one.
What is the SMILES notation for 2-(3-bromo-2,2-dimethylpropyl)-6-methoxypyridazin-3-one?
The canonical SMILES for 2-(3-bromo-2,2-dimethylpropyl)-6-methoxypyridazin-3-one is COc1ccc(=O)n(CC(C)(C)CBr)n1.
What is the InChIKey of 2-(3-bromo-2,2-dimethylpropyl)-6-methoxypyridazin-3-one?
The InChIKey is PAUSEYIBVXLAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2/c1-10(2,6-11)7-13-9(14)5-4-8(12-13)15-3/h4-5H,6-7H2,1-3H3.
What are the key properties of 2-(3-bromo-2,2-dimethylpropyl)-6-methoxypyridazin-3-one?
2-(3-bromo-2,2-dimethylpropyl)-6-methoxypyridazin-3-one has a molecular weight of 275.15 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,2-dimethylpropyl)-6-methoxypyridazin-3-one is sourced from PubChem (CID 105061598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).