4-bromo-5-(difluoromethoxy)-2-propylpyridazin-3-one

C8H9BrF2N2O2 — CID 132590649

IUPAC4-bromo-5-(difluoromethoxy)-2-propylpyridazin-3-one
SMILESCCCn1ncc(OC(F)F)c(Br)c1=O
InChIInChI=1S/C8H9BrF2N2O2/c1-2-3-13-7(14)6(9)5(4-12-13)15-8(10)11/h4,8H,2-3H2,1H3
InChIKeyAPXNISOXPWNNEW-UHFFFAOYSA-N
MW283.07 g/mol
LogP2.02
Rot. Bonds4

About 4-bromo-5-(difluoromethoxy)-2-propylpyridazin-3-one

4-bromo-5-(difluoromethoxy)-2-propylpyridazin-3-one (PubChem CID 132590649) has the molecular formula C8H9BrF2N2O2 and a molecular weight of 283.07 g/mol. Its IUPAC name is 4-bromo-5-(difluoromethoxy)-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-(difluoromethoxy)-2-propylpyridazin-3-one
PubChem CID132590649
Molecular FormulaC8H9BrF2N2O2
Molecular Weight283.07 g/mol
Exact Mass281.98
IUPAC Name4-bromo-5-(difluoromethoxy)-2-propylpyridazin-3-one
SMILESCCCn1ncc(OC(F)F)c(Br)c1=O
InChIInChI=1S/C8H9BrF2N2O2/c1-2-3-13-7(14)6(9)5(4-12-13)15-8(10)11/h4,8H,2-3H2,1H3
InChIKeyAPXNISOXPWNNEW-UHFFFAOYSA-N
XLogP2.02
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.07
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-bromo-5-(difluoromethoxy)-2-propylpyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(difluoromethoxy)-2-propylpyridazin-3-one?
The IUPAC name of 4-bromo-5-(difluoromethoxy)-2-propylpyridazin-3-one (CID 132590649) is 4-bromo-5-(difluoromethoxy)-2-propylpyridazin-3-one.
What is the SMILES notation for 4-bromo-5-(difluoromethoxy)-2-propylpyridazin-3-one?
The canonical SMILES for 4-bromo-5-(difluoromethoxy)-2-propylpyridazin-3-one is CCCn1ncc(OC(F)F)c(Br)c1=O.
What is the InChIKey of 4-bromo-5-(difluoromethoxy)-2-propylpyridazin-3-one?
The InChIKey is APXNISOXPWNNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrF2N2O2/c1-2-3-13-7(14)6(9)5(4-12-13)15-8(10)11/h4,8H,2-3H2,1H3.
What are the key properties of 4-bromo-5-(difluoromethoxy)-2-propylpyridazin-3-one?
4-bromo-5-(difluoromethoxy)-2-propylpyridazin-3-one has a molecular weight of 283.07 g/mol, XLogP of 2.02, 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-propylpyridazin-3-one is sourced from PubChem (CID 132590649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).