1-bromo-5-(2-fluoro-6-methylphenyl)pyrazolo[4,3-c]pyridazin-6-one

C12H8BrFN4O — CID 175238802

IUPAC1-bromo-5-(2-fluoro-6-methylphenyl)pyrazolo[4,3-c]pyridazin-6-one
SMILESCc1cccc(F)c1-n1nc2cnn(Br)c2cc1=O
InChIInChI=1S/C12H8BrFN4O/c1-7-3-2-4-8(14)12(7)17-11(19)5-10-9(16-17)6-15-18(10)13/h2-6H,1H3
InChIKeyHFICAECQJIWKQV-UHFFFAOYSA-N
MW323.13 g/mol
LogP2.19
Rot. Bonds1

About 1-bromo-5-(2-fluoro-6-methylphenyl)pyrazolo[4,3-c]pyridazin-6-one

1-bromo-5-(2-fluoro-6-methylphenyl)pyrazolo[4,3-c]pyridazin-6-one (PubChem CID 175238802) has the molecular formula C12H8BrFN4O and a molecular weight of 323.13 g/mol. Its IUPAC name is 1-bromo-5-(2-fluoro-6-methylphenyl)pyrazolo[4,3-c]pyridazin-6-one.

Molecular Properties

Compound Name1-bromo-5-(2-fluoro-6-methylphenyl)pyrazolo[4,3-c]pyridazin-6-one
PubChem CID175238802
Molecular FormulaC12H8BrFN4O
Molecular Weight323.13 g/mol
Exact Mass321.99
IUPAC Name1-bromo-5-(2-fluoro-6-methylphenyl)pyrazolo[4,3-c]pyridazin-6-one
SMILESCc1cccc(F)c1-n1nc2cnn(Br)c2cc1=O
InChIInChI=1S/C12H8BrFN4O/c1-7-3-2-4-8(14)12(7)17-11(19)5-10-9(16-17)6-15-18(10)13/h2-6H,1H3
InChIKeyHFICAECQJIWKQV-UHFFFAOYSA-N
XLogP2.19
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.13
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-(2-fluoro-6-methylphenyl)pyrazolo[4,3-c]pyridazin-6-one?
The IUPAC name of 1-bromo-5-(2-fluoro-6-methylphenyl)pyrazolo[4,3-c]pyridazin-6-one (CID 175238802) is 1-bromo-5-(2-fluoro-6-methylphenyl)pyrazolo[4,3-c]pyridazin-6-one.
What is the SMILES notation for 1-bromo-5-(2-fluoro-6-methylphenyl)pyrazolo[4,3-c]pyridazin-6-one?
The canonical SMILES for 1-bromo-5-(2-fluoro-6-methylphenyl)pyrazolo[4,3-c]pyridazin-6-one is Cc1cccc(F)c1-n1nc2cnn(Br)c2cc1=O.
What is the InChIKey of 1-bromo-5-(2-fluoro-6-methylphenyl)pyrazolo[4,3-c]pyridazin-6-one?
The InChIKey is HFICAECQJIWKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFN4O/c1-7-3-2-4-8(14)12(7)17-11(19)5-10-9(16-17)6-15-18(10)13/h2-6H,1H3.
What are the key properties of 1-bromo-5-(2-fluoro-6-methylphenyl)pyrazolo[4,3-c]pyridazin-6-one?
1-bromo-5-(2-fluoro-6-methylphenyl)pyrazolo[4,3-c]pyridazin-6-one has a molecular weight of 323.13 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-(2-fluoro-6-methylphenyl)pyrazolo[4,3-c]pyridazin-6-one is sourced from PubChem (CID 175238802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).