3-bromo-6-(2,4-difluorophenyl)-2-methylimidazo[1,2-b]pyridazine

C13H8BrF2N3 — CID 116854958

IUPAC3-bromo-6-(2,4-difluorophenyl)-2-methylimidazo[1,2-b]pyridazine
SMILESCc1nc2ccc(-c3ccc(F)cc3F)nn2c1Br
InChIInChI=1S/C13H8BrF2N3/c1-7-13(14)19-12(17-7)5-4-11(18-19)9-3-2-8(15)6-10(9)16/h2-6H,1H3
InChIKeyCUIBFZIQHVRFPB-UHFFFAOYSA-N
MW324.13 g/mol
LogP3.75
Rot. Bonds1

About 3-bromo-6-(2,4-difluorophenyl)-2-methylimidazo[1,2-b]pyridazine

3-bromo-6-(2,4-difluorophenyl)-2-methylimidazo[1,2-b]pyridazine (PubChem CID 116854958) has the molecular formula C13H8BrF2N3 and a molecular weight of 324.13 g/mol. Its IUPAC name is 3-bromo-6-(2,4-difluorophenyl)-2-methylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-bromo-6-(2,4-difluorophenyl)-2-methylimidazo[1,2-b]pyridazine
PubChem CID116854958
Molecular FormulaC13H8BrF2N3
Molecular Weight324.13 g/mol
Exact Mass322.99
IUPAC Name3-bromo-6-(2,4-difluorophenyl)-2-methylimidazo[1,2-b]pyridazine
SMILESCc1nc2ccc(-c3ccc(F)cc3F)nn2c1Br
InChIInChI=1S/C13H8BrF2N3/c1-7-13(14)19-12(17-7)5-4-11(18-19)9-3-2-8(15)6-10(9)16/h2-6H,1H3
InChIKeyCUIBFZIQHVRFPB-UHFFFAOYSA-N
XLogP3.75
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.13
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-6-(4-fluorophenyl)-2-methylimidazo[1,2-b]pyridazine
CID 116854941
3-tert-butyl-6-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 67762061
1-bromo-8-fluoro-2-methylimidazo[1,2-a]quinoline
CID 115051375
2-(2,4-difluorophenyl)-5-fluoropyridine
CID 130334925
[7-(2,4-difluorophenyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine
CID 11515836
6-(2,4-difluorophenyl)-2-methylpyridine-3-carboxylic acid
CID 69042733
2-(2,4-difluorophenyl)-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 175964945
3-(2,4-difluorophenyl)-4-propan-2-yl-1H-1,2,4-triazole-5-thione
CID 113300104
2-[4-(2,4-difluorophenyl)-6-methylpyrimidin-2-yl]acetonitrile
CID 116895033
3-(difluoromethyl)-6-(2,4-difluorophenyl)-2-methylpyrimidin-4-one
CID 139921195
4-(2,4-difluorophenyl)sulfanyl-3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)aniline
CID 142345342
[5-(2,4-difluorophenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 82473301

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(2,4-difluorophenyl)-2-methylimidazo[1,2-b]pyridazine?
The IUPAC name of 3-bromo-6-(2,4-difluorophenyl)-2-methylimidazo[1,2-b]pyridazine (CID 116854958) is 3-bromo-6-(2,4-difluorophenyl)-2-methylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-bromo-6-(2,4-difluorophenyl)-2-methylimidazo[1,2-b]pyridazine?
The canonical SMILES for 3-bromo-6-(2,4-difluorophenyl)-2-methylimidazo[1,2-b]pyridazine is Cc1nc2ccc(-c3ccc(F)cc3F)nn2c1Br.
What is the InChIKey of 3-bromo-6-(2,4-difluorophenyl)-2-methylimidazo[1,2-b]pyridazine?
The InChIKey is CUIBFZIQHVRFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF2N3/c1-7-13(14)19-12(17-7)5-4-11(18-19)9-3-2-8(15)6-10(9)16/h2-6H,1H3.
What are the key properties of 3-bromo-6-(2,4-difluorophenyl)-2-methylimidazo[1,2-b]pyridazine?
3-bromo-6-(2,4-difluorophenyl)-2-methylimidazo[1,2-b]pyridazine has a molecular weight of 324.13 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(2,4-difluorophenyl)-2-methylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 116854958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).