6-bromo-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-b]pyridazine

C15H12BrF2N3O — CID 91809190

IUPAC6-bromo-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-b]pyridazine
SMILESCc1nc2ccc(Br)nn2c1Cc1ccccc1OC(F)F
InChIInChI=1S/C15H12BrF2N3O/c1-9-11(21-14(19-9)7-6-13(16)20-21)8-10-4-2-3-5-12(10)22-15(17)18/h2-7,15H,8H2,1H3
InChIKeyGRFNHSNPRWYULT-UHFFFAOYSA-N
MW368.18 g/mol
LogP3.99
Rot. Bonds4

About 6-bromo-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-b]pyridazine

6-bromo-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-b]pyridazine (PubChem CID 91809190) has the molecular formula C15H12BrF2N3O and a molecular weight of 368.18 g/mol. Its IUPAC name is 6-bromo-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-bromo-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-b]pyridazine
PubChem CID91809190
Molecular FormulaC15H12BrF2N3O
Molecular Weight368.18 g/mol
Exact Mass367.01
IUPAC Name6-bromo-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-b]pyridazine
SMILESCc1nc2ccc(Br)nn2c1Cc1ccccc1OC(F)F
InChIInChI=1S/C15H12BrF2N3O/c1-9-11(21-14(19-9)7-6-13(16)20-21)8-10-4-2-3-5-12(10)22-15(17)18/h2-7,15H,8H2,1H3
InChIKeyGRFNHSNPRWYULT-UHFFFAOYSA-N
XLogP3.99
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.18
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-b]pyridazine?
The IUPAC name of 6-bromo-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-b]pyridazine (CID 91809190) is 6-bromo-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-bromo-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-b]pyridazine?
The canonical SMILES for 6-bromo-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-b]pyridazine is Cc1nc2ccc(Br)nn2c1Cc1ccccc1OC(F)F.
What is the InChIKey of 6-bromo-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-b]pyridazine?
The InChIKey is GRFNHSNPRWYULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF2N3O/c1-9-11(21-14(19-9)7-6-13(16)20-21)8-10-4-2-3-5-12(10)22-15(17)18/h2-7,15H,8H2,1H3.
What are the key properties of 6-bromo-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-b]pyridazine?
6-bromo-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-b]pyridazine has a molecular weight of 368.18 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 91809190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).