4-bromo-2-(3-fluorophenyl)-5-methylpyridazin-3-one

C11H8BrFN2O — CID 13187397

IUPAC4-bromo-2-(3-fluorophenyl)-5-methylpyridazin-3-one
SMILESCc1cnn(-c2cccc(F)c2)c(=O)c1Br
InChIInChI=1S/C11H8BrFN2O/c1-7-6-14-15(11(16)10(7)12)9-4-2-3-8(13)5-9/h2-6H,1H3
InChIKeyOIVTYHIQXPJUCE-UHFFFAOYSA-N
MW283.10 g/mol
LogP2.44
Rot. Bonds1

About 4-bromo-2-(3-fluorophenyl)-5-methylpyridazin-3-one

4-bromo-2-(3-fluorophenyl)-5-methylpyridazin-3-one (PubChem CID 13187397) has the molecular formula C11H8BrFN2O and a molecular weight of 283.10 g/mol. Its IUPAC name is 4-bromo-2-(3-fluorophenyl)-5-methylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-(3-fluorophenyl)-5-methylpyridazin-3-one
PubChem CID13187397
Molecular FormulaC11H8BrFN2O
Molecular Weight283.10 g/mol
Exact Mass281.98
IUPAC Name4-bromo-2-(3-fluorophenyl)-5-methylpyridazin-3-one
SMILESCc1cnn(-c2cccc(F)c2)c(=O)c1Br
InChIInChI=1S/C11H8BrFN2O/c1-7-6-14-15(11(16)10(7)12)9-4-2-3-8(13)5-9/h2-6H,1H3
InChIKeyOIVTYHIQXPJUCE-UHFFFAOYSA-N
XLogP2.44
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.10
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(3-fluorophenyl)-5-methylpyridazin-3-one?
The IUPAC name of 4-bromo-2-(3-fluorophenyl)-5-methylpyridazin-3-one (CID 13187397) is 4-bromo-2-(3-fluorophenyl)-5-methylpyridazin-3-one.
What is the SMILES notation for 4-bromo-2-(3-fluorophenyl)-5-methylpyridazin-3-one?
The canonical SMILES for 4-bromo-2-(3-fluorophenyl)-5-methylpyridazin-3-one is Cc1cnn(-c2cccc(F)c2)c(=O)c1Br.
What is the InChIKey of 4-bromo-2-(3-fluorophenyl)-5-methylpyridazin-3-one?
The InChIKey is OIVTYHIQXPJUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN2O/c1-7-6-14-15(11(16)10(7)12)9-4-2-3-8(13)5-9/h2-6H,1H3.
What are the key properties of 4-bromo-2-(3-fluorophenyl)-5-methylpyridazin-3-one?
4-bromo-2-(3-fluorophenyl)-5-methylpyridazin-3-one has a molecular weight of 283.10 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(3-fluorophenyl)-5-methylpyridazin-3-one is sourced from PubChem (CID 13187397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).