4,5-dibromo-2-(3-fluoropropyl)pyridazin-3-one

C7H7Br2FN2O — CID 115705911

IUPAC4,5-dibromo-2-(3-fluoropropyl)pyridazin-3-one
SMILESO=c1c(Br)c(Br)cnn1CCCF
InChIInChI=1S/C7H7Br2FN2O/c8-5-4-11-12(3-1-2-10)7(13)6(5)9/h4H,1-3H2
InChIKeyKHWOAQMFMQXRHH-UHFFFAOYSA-N
MW313.95 g/mol
LogP2.13
Rot. Bonds3

About 4,5-dibromo-2-(3-fluoropropyl)pyridazin-3-one

4,5-dibromo-2-(3-fluoropropyl)pyridazin-3-one (PubChem CID 115705911) has the molecular formula C7H7Br2FN2O and a molecular weight of 313.95 g/mol. Its IUPAC name is 4,5-dibromo-2-(3-fluoropropyl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dibromo-2-(3-fluoropropyl)pyridazin-3-one
PubChem CID115705911
Molecular FormulaC7H7Br2FN2O
Molecular Weight313.95 g/mol
Exact Mass311.89
IUPAC Name4,5-dibromo-2-(3-fluoropropyl)pyridazin-3-one
SMILESO=c1c(Br)c(Br)cnn1CCCF
InChIInChI=1S/C7H7Br2FN2O/c8-5-4-11-12(3-1-2-10)7(13)6(5)9/h4H,1-3H2
InChIKeyKHWOAQMFMQXRHH-UHFFFAOYSA-N
XLogP2.13
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.95
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-2-(3-fluoropropyl)pyridazin-3-one?
The IUPAC name of 4,5-dibromo-2-(3-fluoropropyl)pyridazin-3-one (CID 115705911) is 4,5-dibromo-2-(3-fluoropropyl)pyridazin-3-one.
What is the SMILES notation for 4,5-dibromo-2-(3-fluoropropyl)pyridazin-3-one?
The canonical SMILES for 4,5-dibromo-2-(3-fluoropropyl)pyridazin-3-one is O=c1c(Br)c(Br)cnn1CCCF.
What is the InChIKey of 4,5-dibromo-2-(3-fluoropropyl)pyridazin-3-one?
The InChIKey is KHWOAQMFMQXRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Br2FN2O/c8-5-4-11-12(3-1-2-10)7(13)6(5)9/h4H,1-3H2.
What are the key properties of 4,5-dibromo-2-(3-fluoropropyl)pyridazin-3-one?
4,5-dibromo-2-(3-fluoropropyl)pyridazin-3-one has a molecular weight of 313.95 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-2-(3-fluoropropyl)pyridazin-3-one is sourced from PubChem (CID 115705911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).