4-bromo-6-chloro-2-[(3-fluorophenyl)methyl]pyridazin-3-one

C11H7BrClFN2O — CID 132587726

IUPAC4-bromo-6-chloro-2-[(3-fluorophenyl)methyl]pyridazin-3-one
SMILESO=c1c(Br)cc(Cl)nn1Cc1cccc(F)c1
InChIInChI=1S/C11H7BrClFN2O/c12-9-5-10(13)15-16(11(9)17)6-7-2-1-3-8(14)4-7/h1-5H,6H2
InChIKeyIKNOWHLBMXABTP-UHFFFAOYSA-N
MW317.55 g/mol
LogP2.85
Rot. Bonds2

About 4-bromo-6-chloro-2-[(3-fluorophenyl)methyl]pyridazin-3-one

4-bromo-6-chloro-2-[(3-fluorophenyl)methyl]pyridazin-3-one (PubChem CID 132587726) has the molecular formula C11H7BrClFN2O and a molecular weight of 317.55 g/mol. Its IUPAC name is 4-bromo-6-chloro-2-[(3-fluorophenyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-6-chloro-2-[(3-fluorophenyl)methyl]pyridazin-3-one
PubChem CID132587726
Molecular FormulaC11H7BrClFN2O
Molecular Weight317.55 g/mol
Exact Mass315.94
IUPAC Name4-bromo-6-chloro-2-[(3-fluorophenyl)methyl]pyridazin-3-one
SMILESO=c1c(Br)cc(Cl)nn1Cc1cccc(F)c1
InChIInChI=1S/C11H7BrClFN2O/c12-9-5-10(13)15-16(11(9)17)6-7-2-1-3-8(14)4-7/h1-5H,6H2
InChIKeyIKNOWHLBMXABTP-UHFFFAOYSA-N
XLogP2.85
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.55
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-chloro-2-[(3-fluorophenyl)methyl]pyridazin-3-one?
The IUPAC name of 4-bromo-6-chloro-2-[(3-fluorophenyl)methyl]pyridazin-3-one (CID 132587726) is 4-bromo-6-chloro-2-[(3-fluorophenyl)methyl]pyridazin-3-one.
What is the SMILES notation for 4-bromo-6-chloro-2-[(3-fluorophenyl)methyl]pyridazin-3-one?
The canonical SMILES for 4-bromo-6-chloro-2-[(3-fluorophenyl)methyl]pyridazin-3-one is O=c1c(Br)cc(Cl)nn1Cc1cccc(F)c1.
What is the InChIKey of 4-bromo-6-chloro-2-[(3-fluorophenyl)methyl]pyridazin-3-one?
The InChIKey is IKNOWHLBMXABTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClFN2O/c12-9-5-10(13)15-16(11(9)17)6-7-2-1-3-8(14)4-7/h1-5H,6H2.
What are the key properties of 4-bromo-6-chloro-2-[(3-fluorophenyl)methyl]pyridazin-3-one?
4-bromo-6-chloro-2-[(3-fluorophenyl)methyl]pyridazin-3-one has a molecular weight of 317.55 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-chloro-2-[(3-fluorophenyl)methyl]pyridazin-3-one is sourced from PubChem (CID 132587726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).