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

C7H7BrF2N2O2 — CID 132590648

IUPAC4-bromo-5-(difluoromethoxy)-2-ethylpyridazin-3-one
SMILESCCn1ncc(OC(F)F)c(Br)c1=O
InChIInChI=1S/C7H7BrF2N2O2/c1-2-12-6(13)5(8)4(3-11-12)14-7(9)10/h3,7H,2H2,1H3
InChIKeyOWTORUVDHJXEQK-UHFFFAOYSA-N
MW269.04 g/mol
LogP1.63
Rot. Bonds3

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

4-bromo-5-(difluoromethoxy)-2-ethylpyridazin-3-one (PubChem CID 132590648) has the molecular formula C7H7BrF2N2O2 and a molecular weight of 269.04 g/mol. Its IUPAC name is 4-bromo-5-(difluoromethoxy)-2-ethylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-(difluoromethoxy)-2-ethylpyridazin-3-one
PubChem CID132590648
Molecular FormulaC7H7BrF2N2O2
Molecular Weight269.04 g/mol
Exact Mass267.97
IUPAC Name4-bromo-5-(difluoromethoxy)-2-ethylpyridazin-3-one
SMILESCCn1ncc(OC(F)F)c(Br)c1=O
InChIInChI=1S/C7H7BrF2N2O2/c1-2-12-6(13)5(8)4(3-11-12)14-7(9)10/h3,7H,2H2,1H3
InChIKeyOWTORUVDHJXEQK-UHFFFAOYSA-N
XLogP1.63
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.04
LogP ≤ 51.63
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-ethylpyridazin-3-one?
The IUPAC name of 4-bromo-5-(difluoromethoxy)-2-ethylpyridazin-3-one (CID 132590648) is 4-bromo-5-(difluoromethoxy)-2-ethylpyridazin-3-one.
What is the SMILES notation for 4-bromo-5-(difluoromethoxy)-2-ethylpyridazin-3-one?
The canonical SMILES for 4-bromo-5-(difluoromethoxy)-2-ethylpyridazin-3-one is CCn1ncc(OC(F)F)c(Br)c1=O.
What is the InChIKey of 4-bromo-5-(difluoromethoxy)-2-ethylpyridazin-3-one?
The InChIKey is OWTORUVDHJXEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrF2N2O2/c1-2-12-6(13)5(8)4(3-11-12)14-7(9)10/h3,7H,2H2,1H3.
What are the key properties of 4-bromo-5-(difluoromethoxy)-2-ethylpyridazin-3-one?
4-bromo-5-(difluoromethoxy)-2-ethylpyridazin-3-one has a molecular weight of 269.04 g/mol, XLogP of 1.63, 3 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-ethylpyridazin-3-one is sourced from PubChem (CID 132590648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).