3-bromo-7-ethyl-8-methyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazine

C10H9BrF3N3 — CID 162606951

IUPAC3-bromo-7-ethyl-8-methyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazine
SMILESCCc1c(C(F)(F)F)nn2c(Br)cnc2c1C
InChIInChI=1S/C10H9BrF3N3/c1-3-6-5(2)9-15-4-7(11)17(9)16-8(6)10(12,13)14/h4H,3H2,1-2H3
InChIKeyXMYWWGRDCIKHKU-UHFFFAOYSA-N
MW308.10 g/mol
LogP3.38
Rot. Bonds1

About 3-bromo-7-ethyl-8-methyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazine

3-bromo-7-ethyl-8-methyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazine (PubChem CID 162606951) has the molecular formula C10H9BrF3N3 and a molecular weight of 308.10 g/mol. Its IUPAC name is 3-bromo-7-ethyl-8-methyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-bromo-7-ethyl-8-methyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazine
PubChem CID162606951
Molecular FormulaC10H9BrF3N3
Molecular Weight308.10 g/mol
Exact Mass306.99
IUPAC Name3-bromo-7-ethyl-8-methyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazine
SMILESCCc1c(C(F)(F)F)nn2c(Br)cnc2c1C
InChIInChI=1S/C10H9BrF3N3/c1-3-6-5(2)9-15-4-7(11)17(9)16-8(6)10(12,13)14/h4H,3H2,1-2H3
InChIKeyXMYWWGRDCIKHKU-UHFFFAOYSA-N
XLogP3.38
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.10
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[7-methyl-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]acetate
CID 118986537
5-bromo-1-ethyl-2-[4-(trifluoromethyl)phenyl]imidazole
CID 117259482
3-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]butan-1-amine
CID 19619835
CID 145425677
CID 145425677
4-[5-(3,4-dimethylphenyl)-4-ethyl-3-(trifluoromethyl)pyrazol-1-yl]aniline
CID 89423465
4-[4-ethyl-5-methyl-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbonitrile
CID 146613152
7-bromoimidazo[2,1-f][1,2,4]triazin-4-amine;ethane
CID 145368007
5-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
CID 135325495
3-bromo-5-methyl-2-(trifluoromethyl)pyridine
CID 83919393
[4-(difluoromethyl)-5-methyl-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130088384
4-ethyl-1-methyl-5-propan-2-ylsulfanyl-3-(trifluoromethyl)pyrazole
CID 162551704
3-chloro-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)pyridine
CID 61237757

Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-ethyl-8-methyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazine?
The IUPAC name of 3-bromo-7-ethyl-8-methyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazine (CID 162606951) is 3-bromo-7-ethyl-8-methyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-bromo-7-ethyl-8-methyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 3-bromo-7-ethyl-8-methyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazine is CCc1c(C(F)(F)F)nn2c(Br)cnc2c1C.
What is the InChIKey of 3-bromo-7-ethyl-8-methyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazine?
The InChIKey is XMYWWGRDCIKHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF3N3/c1-3-6-5(2)9-15-4-7(11)17(9)16-8(6)10(12,13)14/h4H,3H2,1-2H3.
What are the key properties of 3-bromo-7-ethyl-8-methyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazine?
3-bromo-7-ethyl-8-methyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazine has a molecular weight of 308.10 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-ethyl-8-methyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 162606951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).