4-[(3-bromo-4-fluorophenoxy)methyl]pyridazine

C11H8BrFN2O — CID 163255021

IUPAC4-[(3-bromo-4-fluorophenoxy)methyl]pyridazine
SMILESFc1ccc(OCc2ccnnc2)cc1Br
InChIInChI=1S/C11H8BrFN2O/c12-10-5-9(1-2-11(10)13)16-7-8-3-4-14-15-6-8/h1-6H,7H2
InChIKeySYRRSCYAODEISG-UHFFFAOYSA-N
MW283.10 g/mol
LogP2.96
Rot. Bonds3

About 4-[(3-bromo-4-fluorophenoxy)methyl]pyridazine

4-[(3-bromo-4-fluorophenoxy)methyl]pyridazine (PubChem CID 163255021) has the molecular formula C11H8BrFN2O and a molecular weight of 283.10 g/mol. Its IUPAC name is 4-[(3-bromo-4-fluorophenoxy)methyl]pyridazine.

Molecular Properties

Compound Name4-[(3-bromo-4-fluorophenoxy)methyl]pyridazine
PubChem CID163255021
Molecular FormulaC11H8BrFN2O
Molecular Weight283.10 g/mol
Exact Mass281.98
IUPAC Name4-[(3-bromo-4-fluorophenoxy)methyl]pyridazine
SMILESFc1ccc(OCc2ccnnc2)cc1Br
InChIInChI=1S/C11H8BrFN2O/c12-10-5-9(1-2-11(10)13)16-7-8-3-4-14-15-6-8/h1-6H,7H2
InChIKeySYRRSCYAODEISG-UHFFFAOYSA-N
XLogP2.96
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.10
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-[(4-bromophenyl)methoxy]-1-fluorobenzene
CID 83231614
5-[(3-bromo-4-fluorophenoxy)methyl]-N-ethylpyridin-2-amine
CID 83235069
1-bromo-3-[(3-bromo-4-fluorophenoxy)methyl]-5-fluorobenzene
CID 83233067
2-[(3-bromo-4-fluorophenoxy)methyl]-5-fluoropyridine
CID 163255149
2-bromo-1-fluoro-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
CID 83233328
5-[(3-bromo-4-fluorophenoxy)methyl]-1,3-thiazole
CID 112640679
N-[[4-[(3-bromo-4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 83231219
2-bromo-4-(2,2-difluoroethoxy)-1-fluorobenzene
CID 83231769
2-bromo-4-[(5-bromo-2-fluorophenyl)methoxy]-1-fluorobenzene
CID 83233544
2-bromo-4-[(2-bromophenyl)methoxy]-1-fluorobenzene
CID 83232064
2-bromo-4-[(3,4-dimethylphenoxy)methyl]-1-fluorobenzene
CID 63458365
5-[(3-bromo-4-fluorophenoxy)methyl]-2-methoxyaniline
CID 83233823

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromo-4-fluorophenoxy)methyl]pyridazine?
The IUPAC name of 4-[(3-bromo-4-fluorophenoxy)methyl]pyridazine (CID 163255021) is 4-[(3-bromo-4-fluorophenoxy)methyl]pyridazine.
What is the SMILES notation for 4-[(3-bromo-4-fluorophenoxy)methyl]pyridazine?
The canonical SMILES for 4-[(3-bromo-4-fluorophenoxy)methyl]pyridazine is Fc1ccc(OCc2ccnnc2)cc1Br.
What is the InChIKey of 4-[(3-bromo-4-fluorophenoxy)methyl]pyridazine?
The InChIKey is SYRRSCYAODEISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN2O/c12-10-5-9(1-2-11(10)13)16-7-8-3-4-14-15-6-8/h1-6H,7H2.
What are the key properties of 4-[(3-bromo-4-fluorophenoxy)methyl]pyridazine?
4-[(3-bromo-4-fluorophenoxy)methyl]pyridazine has a molecular weight of 283.10 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromo-4-fluorophenoxy)methyl]pyridazine is sourced from PubChem (CID 163255021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).