4-bromo-5-(difluoromethoxy)-2-(2-methylpropyl)pyridazin-3-one

C9H11BrF2N2O2 — CID 132590651

IUPAC4-bromo-5-(difluoromethoxy)-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1ncc(OC(F)F)c(Br)c1=O
InChIInChI=1S/C9H11BrF2N2O2/c1-5(2)4-14-8(15)7(10)6(3-13-14)16-9(11)12/h3,5,9H,4H2,1-2H3
InChIKeyZXHXZWXZDZLBHT-UHFFFAOYSA-N
MW297.10 g/mol
LogP2.26
Rot. Bonds4

About 4-bromo-5-(difluoromethoxy)-2-(2-methylpropyl)pyridazin-3-one

4-bromo-5-(difluoromethoxy)-2-(2-methylpropyl)pyridazin-3-one (PubChem CID 132590651) has the molecular formula C9H11BrF2N2O2 and a molecular weight of 297.10 g/mol. Its IUPAC name is 4-bromo-5-(difluoromethoxy)-2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-(difluoromethoxy)-2-(2-methylpropyl)pyridazin-3-one
PubChem CID132590651
Molecular FormulaC9H11BrF2N2O2
Molecular Weight297.10 g/mol
Exact Mass296.00
IUPAC Name4-bromo-5-(difluoromethoxy)-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1ncc(OC(F)F)c(Br)c1=O
InChIInChI=1S/C9H11BrF2N2O2/c1-5(2)4-14-8(15)7(10)6(3-13-14)16-9(11)12/h3,5,9H,4H2,1-2H3
InChIKeyZXHXZWXZDZLBHT-UHFFFAOYSA-N
XLogP2.26
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.10
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(difluoromethoxy)-2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 4-bromo-5-(difluoromethoxy)-2-(2-methylpropyl)pyridazin-3-one (CID 132590651) is 4-bromo-5-(difluoromethoxy)-2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 4-bromo-5-(difluoromethoxy)-2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 4-bromo-5-(difluoromethoxy)-2-(2-methylpropyl)pyridazin-3-one is CC(C)Cn1ncc(OC(F)F)c(Br)c1=O.
What is the InChIKey of 4-bromo-5-(difluoromethoxy)-2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is ZXHXZWXZDZLBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrF2N2O2/c1-5(2)4-14-8(15)7(10)6(3-13-14)16-9(11)12/h3,5,9H,4H2,1-2H3.
What are the key properties of 4-bromo-5-(difluoromethoxy)-2-(2-methylpropyl)pyridazin-3-one?
4-bromo-5-(difluoromethoxy)-2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 297.10 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(difluoromethoxy)-2-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 132590651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).