4-bromo-2-ethyl-5-[(4-fluorophenyl)methoxy]pyridazin-3-one

C13H12BrFN2O2 — CID 13373245

IUPAC4-bromo-2-ethyl-5-[(4-fluorophenyl)methoxy]pyridazin-3-one
SMILESCCn1ncc(OCc2ccc(F)cc2)c(Br)c1=O
InChIInChI=1S/C13H12BrFN2O2/c1-2-17-13(18)12(14)11(7-16-17)19-8-9-3-5-10(15)6-4-9/h3-7H,2,8H2,1H3
InChIKeyWVPYUQBFMXZPDS-UHFFFAOYSA-N
MW327.15 g/mol
LogP2.74
Rot. Bonds4

About 4-bromo-2-ethyl-5-[(4-fluorophenyl)methoxy]pyridazin-3-one

4-bromo-2-ethyl-5-[(4-fluorophenyl)methoxy]pyridazin-3-one (PubChem CID 13373245) has the molecular formula C13H12BrFN2O2 and a molecular weight of 327.15 g/mol. Its IUPAC name is 4-bromo-2-ethyl-5-[(4-fluorophenyl)methoxy]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-ethyl-5-[(4-fluorophenyl)methoxy]pyridazin-3-one
PubChem CID13373245
Molecular FormulaC13H12BrFN2O2
Molecular Weight327.15 g/mol
Exact Mass326.01
IUPAC Name4-bromo-2-ethyl-5-[(4-fluorophenyl)methoxy]pyridazin-3-one
SMILESCCn1ncc(OCc2ccc(F)cc2)c(Br)c1=O
InChIInChI=1S/C13H12BrFN2O2/c1-2-17-13(18)12(14)11(7-16-17)19-8-9-3-5-10(15)6-4-9/h3-7H,2,8H2,1H3
InChIKeyWVPYUQBFMXZPDS-UHFFFAOYSA-N
XLogP2.74
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.15
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethyl-5-[(4-fluorophenyl)methoxy]pyridazin-3-one?
The IUPAC name of 4-bromo-2-ethyl-5-[(4-fluorophenyl)methoxy]pyridazin-3-one (CID 13373245) is 4-bromo-2-ethyl-5-[(4-fluorophenyl)methoxy]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-ethyl-5-[(4-fluorophenyl)methoxy]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-ethyl-5-[(4-fluorophenyl)methoxy]pyridazin-3-one is CCn1ncc(OCc2ccc(F)cc2)c(Br)c1=O.
What is the InChIKey of 4-bromo-2-ethyl-5-[(4-fluorophenyl)methoxy]pyridazin-3-one?
The InChIKey is WVPYUQBFMXZPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O2/c1-2-17-13(18)12(14)11(7-16-17)19-8-9-3-5-10(15)6-4-9/h3-7H,2,8H2,1H3.
What are the key properties of 4-bromo-2-ethyl-5-[(4-fluorophenyl)methoxy]pyridazin-3-one?
4-bromo-2-ethyl-5-[(4-fluorophenyl)methoxy]pyridazin-3-one has a molecular weight of 327.15 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethyl-5-[(4-fluorophenyl)methoxy]pyridazin-3-one is sourced from PubChem (CID 13373245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).