3-[(3-bromo-4-fluorophenyl)methyl]-6-(difluoromethoxy)pyridazine

C12H8BrF3N2O — CID 144744909

IUPAC3-[(3-bromo-4-fluorophenyl)methyl]-6-(difluoromethoxy)pyridazine
SMILESFc1ccc(Cc2ccc(OC(F)F)nn2)cc1Br
InChIInChI=1S/C12H8BrF3N2O/c13-9-6-7(1-3-10(9)14)5-8-2-4-11(18-17-8)19-12(15)16/h1-4,6,12H,5H2
InChIKeyZLMGIURACTUARN-UHFFFAOYSA-N
MW333.11 g/mol
LogP3.57
Rot. Bonds4

About 3-[(3-bromo-4-fluorophenyl)methyl]-6-(difluoromethoxy)pyridazine

3-[(3-bromo-4-fluorophenyl)methyl]-6-(difluoromethoxy)pyridazine (PubChem CID 144744909) has the molecular formula C12H8BrF3N2O and a molecular weight of 333.11 g/mol. Its IUPAC name is 3-[(3-bromo-4-fluorophenyl)methyl]-6-(difluoromethoxy)pyridazine.

Molecular Properties

Compound Name3-[(3-bromo-4-fluorophenyl)methyl]-6-(difluoromethoxy)pyridazine
PubChem CID144744909
Molecular FormulaC12H8BrF3N2O
Molecular Weight333.11 g/mol
Exact Mass331.98
IUPAC Name3-[(3-bromo-4-fluorophenyl)methyl]-6-(difluoromethoxy)pyridazine
SMILESFc1ccc(Cc2ccc(OC(F)F)nn2)cc1Br
InChIInChI=1S/C12H8BrF3N2O/c13-9-6-7(1-3-10(9)14)5-8-2-4-11(18-17-8)19-12(15)16/h1-4,6,12H,5H2
InChIKeyZLMGIURACTUARN-UHFFFAOYSA-N
XLogP3.57
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.11
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[(3-bromo-4-fluorophenyl)methyl]-6-(difluoromethoxy)pyridazine with MolForge

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

Launch Full Analysis

Related Compounds

5-(3-Bromo-phenyl)-3-methoxy-pyridazine
CID 11694609
3-(3-Bromophenoxy)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazine
CID 76320197
3-(4-Bromophenoxy)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazine
CID 76323852
3-[(2-Bromophenyl)methoxy]-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazine
CID 76327392
3-(2-Bromophenoxy)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazine
CID 76309265
3-[(3-Bromophenyl)methoxy]-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazine
CID 76323835
3-[(4-Bromophenyl)methoxy]-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazine
CID 76334652
3-[(4-Fluorophenyl)methyl]-6-methoxypyridazine
CID 45276200
3-[(4-Bromophenyl)methoxy]-6-fluoropyridazine
CID 139221072
3-Methoxy-6-phenylpyridazine
CID 11084567
3-(4-Fluoro-2-methoxyphenyl)-6-methoxypyridazine
CID 56707609
3-(Difluoromethoxy)-6-(4-pentylphenyl)pyridazine
CID 6412190

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-4-fluorophenyl)methyl]-6-(difluoromethoxy)pyridazine?
The IUPAC name of 3-[(3-bromo-4-fluorophenyl)methyl]-6-(difluoromethoxy)pyridazine (CID 144744909) is 3-[(3-bromo-4-fluorophenyl)methyl]-6-(difluoromethoxy)pyridazine.
What is the SMILES notation for 3-[(3-bromo-4-fluorophenyl)methyl]-6-(difluoromethoxy)pyridazine?
The canonical SMILES for 3-[(3-bromo-4-fluorophenyl)methyl]-6-(difluoromethoxy)pyridazine is Fc1ccc(Cc2ccc(OC(F)F)nn2)cc1Br.
What is the InChIKey of 3-[(3-bromo-4-fluorophenyl)methyl]-6-(difluoromethoxy)pyridazine?
The InChIKey is ZLMGIURACTUARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF3N2O/c13-9-6-7(1-3-10(9)14)5-8-2-4-11(18-17-8)19-12(15)16/h1-4,6,12H,5H2.
What are the key properties of 3-[(3-bromo-4-fluorophenyl)methyl]-6-(difluoromethoxy)pyridazine?
3-[(3-bromo-4-fluorophenyl)methyl]-6-(difluoromethoxy)pyridazine has a molecular weight of 333.11 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-4-fluorophenyl)methyl]-6-(difluoromethoxy)pyridazine is sourced from PubChem (CID 144744909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).