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

C11H8BrFN2O2 — CID 1487494

IUPAC4-bromo-2-(4-fluorophenyl)-5-methoxypyridazin-3-one
SMILESCOc1cnn(-c2ccc(F)cc2)c(=O)c1Br
InChIInChI=1S/C11H8BrFN2O2/c1-17-9-6-14-15(11(16)10(9)12)8-4-2-7(13)3-5-8/h2-6H,1H3
InChIKeyQMSFYPLJIJQFAN-UHFFFAOYSA-N
MW299.10 g/mol
LogP2.14
Rot. Bonds2

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

4-bromo-2-(4-fluorophenyl)-5-methoxypyridazin-3-one (PubChem CID 1487494) has the molecular formula C11H8BrFN2O2 and a molecular weight of 299.10 g/mol. Its IUPAC name is 4-bromo-2-(4-fluorophenyl)-5-methoxypyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-(4-fluorophenyl)-5-methoxypyridazin-3-one
PubChem CID1487494
Molecular FormulaC11H8BrFN2O2
Molecular Weight299.10 g/mol
Exact Mass297.98
IUPAC Name4-bromo-2-(4-fluorophenyl)-5-methoxypyridazin-3-one
SMILESCOc1cnn(-c2ccc(F)cc2)c(=O)c1Br
InChIInChI=1S/C11H8BrFN2O2/c1-17-9-6-14-15(11(16)10(9)12)8-4-2-7(13)3-5-8/h2-6H,1H3
InChIKeyQMSFYPLJIJQFAN-UHFFFAOYSA-N
XLogP2.14
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.10
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3(2H)-Pyridazinone, 4,5-dibromo-2-phenyl-
CID 203396
5-hydroxy-4-methoxy-2-phenylpyridazin-3(2H)-one
CID 54686949
4-Chloro-5-ethoxy-2-phenyl-3(2H)-pyridazinone
CID 248680
Dimidazon
CID 768265
Brompyrazon
CID 76441
5-Chloro-4-methoxy-2-phenyl-3(2H)-pyridazinone
CID 555185
4-(dimethylamino)-5-methoxy-2-phenyl-3(2H)-pyridazinone
CID 767634
Pyridazinone, 2-13
CID 44246281
4-bromo-5-methoxy-2-(4-methylphenyl)-3(2H)-pyridazinone
CID 1487493
4-bromo-2-phenyl-5-(pyrrolidin-1-yl)pyridazin-3(2H)-one
CID 737756
Pyridazinone, 2-24
CID 44246291
Pyridazinone, 2-31
CID 44246295

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(4-fluorophenyl)-5-methoxypyridazin-3-one?
The IUPAC name of 4-bromo-2-(4-fluorophenyl)-5-methoxypyridazin-3-one (CID 1487494) is 4-bromo-2-(4-fluorophenyl)-5-methoxypyridazin-3-one.
What is the SMILES notation for 4-bromo-2-(4-fluorophenyl)-5-methoxypyridazin-3-one?
The canonical SMILES for 4-bromo-2-(4-fluorophenyl)-5-methoxypyridazin-3-one is COc1cnn(-c2ccc(F)cc2)c(=O)c1Br.
What is the InChIKey of 4-bromo-2-(4-fluorophenyl)-5-methoxypyridazin-3-one?
The InChIKey is QMSFYPLJIJQFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN2O2/c1-17-9-6-14-15(11(16)10(9)12)8-4-2-7(13)3-5-8/h2-6H,1H3.
What are the key properties of 4-bromo-2-(4-fluorophenyl)-5-methoxypyridazin-3-one?
4-bromo-2-(4-fluorophenyl)-5-methoxypyridazin-3-one has a molecular weight of 299.10 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(4-fluorophenyl)-5-methoxypyridazin-3-one is sourced from PubChem (CID 1487494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).