5-bromo-4-[(2,4-difluorophenyl)methoxy]-1H-pyridazin-6-one

C11H7BrF2N2O2 — CID 10236655

IUPAC5-bromo-4-[(2,4-difluorophenyl)methoxy]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(OCc2ccc(F)cc2F)c1Br
InChIInChI=1S/C11H7BrF2N2O2/c12-10-9(4-15-16-11(10)17)18-5-6-1-2-7(13)3-8(6)14/h1-4H,5H2,(H,16,17)
InChIKeyLPQSHJAUFHNBBI-UHFFFAOYSA-N
MW317.09 g/mol
LogP2.39
Rot. Bonds3

About 5-bromo-4-[(2,4-difluorophenyl)methoxy]-1H-pyridazin-6-one

5-bromo-4-[(2,4-difluorophenyl)methoxy]-1H-pyridazin-6-one (PubChem CID 10236655) has the molecular formula C11H7BrF2N2O2 and a molecular weight of 317.09 g/mol. Its IUPAC name is 5-bromo-4-[(2,4-difluorophenyl)methoxy]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-bromo-4-[(2,4-difluorophenyl)methoxy]-1H-pyridazin-6-one
PubChem CID10236655
Molecular FormulaC11H7BrF2N2O2
Molecular Weight317.09 g/mol
Exact Mass315.97
IUPAC Name5-bromo-4-[(2,4-difluorophenyl)methoxy]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(OCc2ccc(F)cc2F)c1Br
InChIInChI=1S/C11H7BrF2N2O2/c12-10-9(4-15-16-11(10)17)18-5-6-1-2-7(13)3-8(6)14/h1-4H,5H2,(H,16,17)
InChIKeyLPQSHJAUFHNBBI-UHFFFAOYSA-N
XLogP2.39
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.09
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(2,4-difluorophenyl)methoxy]-1H-pyridazin-6-one?
The IUPAC name of 5-bromo-4-[(2,4-difluorophenyl)methoxy]-1H-pyridazin-6-one (CID 10236655) is 5-bromo-4-[(2,4-difluorophenyl)methoxy]-1H-pyridazin-6-one.
What is the SMILES notation for 5-bromo-4-[(2,4-difluorophenyl)methoxy]-1H-pyridazin-6-one?
The canonical SMILES for 5-bromo-4-[(2,4-difluorophenyl)methoxy]-1H-pyridazin-6-one is O=c1[nH]ncc(OCc2ccc(F)cc2F)c1Br.
What is the InChIKey of 5-bromo-4-[(2,4-difluorophenyl)methoxy]-1H-pyridazin-6-one?
The InChIKey is LPQSHJAUFHNBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF2N2O2/c12-10-9(4-15-16-11(10)17)18-5-6-1-2-7(13)3-8(6)14/h1-4H,5H2,(H,16,17).
What are the key properties of 5-bromo-4-[(2,4-difluorophenyl)methoxy]-1H-pyridazin-6-one?
5-bromo-4-[(2,4-difluorophenyl)methoxy]-1H-pyridazin-6-one has a molecular weight of 317.09 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(2,4-difluorophenyl)methoxy]-1H-pyridazin-6-one is sourced from PubChem (CID 10236655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).