3-[(4-bromophenyl)methoxy]-6-fluoropyridazine

C11H8BrFN2O — CID 139221072

IUPAC3-[(4-bromophenyl)methoxy]-6-fluoropyridazine
SMILESFc1ccc(OCc2ccc(Br)cc2)nn1
InChIInChI=1S/C11H8BrFN2O/c12-9-3-1-8(2-4-9)7-16-11-6-5-10(13)14-15-11/h1-6H,7H2
InChIKeyNXPOMBXSCSVNTL-UHFFFAOYSA-N
MW283.10 g/mol
LogP2.96
Rot. Bonds3

About 3-[(4-bromophenyl)methoxy]-6-fluoropyridazine

3-[(4-bromophenyl)methoxy]-6-fluoropyridazine (PubChem CID 139221072) has the molecular formula C11H8BrFN2O and a molecular weight of 283.10 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methoxy]-6-fluoropyridazine.

Molecular Properties

Compound Name3-[(4-bromophenyl)methoxy]-6-fluoropyridazine
PubChem CID139221072
Molecular FormulaC11H8BrFN2O
Molecular Weight283.10 g/mol
Exact Mass281.98
IUPAC Name3-[(4-bromophenyl)methoxy]-6-fluoropyridazine
SMILESFc1ccc(OCc2ccc(Br)cc2)nn1
InChIInChI=1S/C11H8BrFN2O/c12-9-3-1-8(2-4-9)7-16-11-6-5-10(13)14-15-11/h1-6H,7H2
InChIKeyNXPOMBXSCSVNTL-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

Analyze 3-[(4-bromophenyl)methoxy]-6-fluoropyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methoxy]-6-fluoropyridazine?
The IUPAC name of 3-[(4-bromophenyl)methoxy]-6-fluoropyridazine (CID 139221072) is 3-[(4-bromophenyl)methoxy]-6-fluoropyridazine.
What is the SMILES notation for 3-[(4-bromophenyl)methoxy]-6-fluoropyridazine?
The canonical SMILES for 3-[(4-bromophenyl)methoxy]-6-fluoropyridazine is Fc1ccc(OCc2ccc(Br)cc2)nn1.
What is the InChIKey of 3-[(4-bromophenyl)methoxy]-6-fluoropyridazine?
The InChIKey is NXPOMBXSCSVNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN2O/c12-9-3-1-8(2-4-9)7-16-11-6-5-10(13)14-15-11/h1-6H,7H2.
What are the key properties of 3-[(4-bromophenyl)methoxy]-6-fluoropyridazine?
3-[(4-bromophenyl)methoxy]-6-fluoropyridazine 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 3-[(4-bromophenyl)methoxy]-6-fluoropyridazine is sourced from PubChem (CID 139221072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).