3-(2-bromo-4-fluorophenoxy)-6-methylpyridazine

C11H8BrFN2O — CID 61311757

IUPAC3-(2-bromo-4-fluorophenoxy)-6-methylpyridazine
SMILESCc1ccc(Oc2ccc(F)cc2Br)nn1
InChIInChI=1S/C11H8BrFN2O/c1-7-2-5-11(15-14-7)16-10-4-3-8(13)6-9(10)12/h2-6H,1H3
InChIKeyVTPXDNBHOPVMBG-UHFFFAOYSA-N
MW283.10 g/mol
LogP3.48
Rot. Bonds2

About 3-(2-bromo-4-fluorophenoxy)-6-methylpyridazine

3-(2-bromo-4-fluorophenoxy)-6-methylpyridazine (PubChem CID 61311757) has the molecular formula C11H8BrFN2O and a molecular weight of 283.10 g/mol. Its IUPAC name is 3-(2-bromo-4-fluorophenoxy)-6-methylpyridazine.

Molecular Properties

Compound Name3-(2-bromo-4-fluorophenoxy)-6-methylpyridazine
PubChem CID61311757
Molecular FormulaC11H8BrFN2O
Molecular Weight283.10 g/mol
Exact Mass281.98
IUPAC Name3-(2-bromo-4-fluorophenoxy)-6-methylpyridazine
SMILESCc1ccc(Oc2ccc(F)cc2Br)nn1
InChIInChI=1S/C11H8BrFN2O/c1-7-2-5-11(15-14-7)16-10-4-3-8(13)6-9(10)12/h2-6H,1H3
InChIKeyVTPXDNBHOPVMBG-UHFFFAOYSA-N
XLogP3.48
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.10
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4-fluorophenoxy)-6-methylpyridazine?
The IUPAC name of 3-(2-bromo-4-fluorophenoxy)-6-methylpyridazine (CID 61311757) is 3-(2-bromo-4-fluorophenoxy)-6-methylpyridazine.
What is the SMILES notation for 3-(2-bromo-4-fluorophenoxy)-6-methylpyridazine?
The canonical SMILES for 3-(2-bromo-4-fluorophenoxy)-6-methylpyridazine is Cc1ccc(Oc2ccc(F)cc2Br)nn1.
What is the InChIKey of 3-(2-bromo-4-fluorophenoxy)-6-methylpyridazine?
The InChIKey is VTPXDNBHOPVMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN2O/c1-7-2-5-11(15-14-7)16-10-4-3-8(13)6-9(10)12/h2-6H,1H3.
What are the key properties of 3-(2-bromo-4-fluorophenoxy)-6-methylpyridazine?
3-(2-bromo-4-fluorophenoxy)-6-methylpyridazine has a molecular weight of 283.10 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4-fluorophenoxy)-6-methylpyridazine is sourced from PubChem (CID 61311757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).