4-(3-bromo-4-fluorophenyl)-7-ethylimidazo[4,5-c]pyridazine

C13H10BrFN4 — CID 86723232

IUPAC4-(3-bromo-4-fluorophenyl)-7-ethylimidazo[4,5-c]pyridazine
SMILESCCn1cnc2c(-c3ccc(F)c(Br)c3)cnnc21
InChIInChI=1S/C13H10BrFN4/c1-2-19-7-16-12-9(6-17-18-13(12)19)8-3-4-11(15)10(14)5-8/h3-7H,2H2,1H3
InChIKeyRMCQDIUMPYNITR-UHFFFAOYSA-N
MW321.15 g/mol
LogP3.41
Rot. Bonds2

About 4-(3-bromo-4-fluorophenyl)-7-ethylimidazo[4,5-c]pyridazine

4-(3-bromo-4-fluorophenyl)-7-ethylimidazo[4,5-c]pyridazine (PubChem CID 86723232) has the molecular formula C13H10BrFN4 and a molecular weight of 321.15 g/mol. Its IUPAC name is 4-(3-bromo-4-fluorophenyl)-7-ethylimidazo[4,5-c]pyridazine.

Molecular Properties

Compound Name4-(3-bromo-4-fluorophenyl)-7-ethylimidazo[4,5-c]pyridazine
PubChem CID86723232
Molecular FormulaC13H10BrFN4
Molecular Weight321.15 g/mol
Exact Mass320.01
IUPAC Name4-(3-bromo-4-fluorophenyl)-7-ethylimidazo[4,5-c]pyridazine
SMILESCCn1cnc2c(-c3ccc(F)c(Br)c3)cnnc21
InChIInChI=1S/C13H10BrFN4/c1-2-19-7-16-12-9(6-17-18-13(12)19)8-3-4-11(15)10(14)5-8/h3-7H,2H2,1H3
InChIKeyRMCQDIUMPYNITR-UHFFFAOYSA-N
XLogP3.41
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.15
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-fluorophenyl)-7-ethylimidazo[4,5-c]pyridazine?
The IUPAC name of 4-(3-bromo-4-fluorophenyl)-7-ethylimidazo[4,5-c]pyridazine (CID 86723232) is 4-(3-bromo-4-fluorophenyl)-7-ethylimidazo[4,5-c]pyridazine.
What is the SMILES notation for 4-(3-bromo-4-fluorophenyl)-7-ethylimidazo[4,5-c]pyridazine?
The canonical SMILES for 4-(3-bromo-4-fluorophenyl)-7-ethylimidazo[4,5-c]pyridazine is CCn1cnc2c(-c3ccc(F)c(Br)c3)cnnc21.
What is the InChIKey of 4-(3-bromo-4-fluorophenyl)-7-ethylimidazo[4,5-c]pyridazine?
The InChIKey is RMCQDIUMPYNITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN4/c1-2-19-7-16-12-9(6-17-18-13(12)19)8-3-4-11(15)10(14)5-8/h3-7H,2H2,1H3.
What are the key properties of 4-(3-bromo-4-fluorophenyl)-7-ethylimidazo[4,5-c]pyridazine?
4-(3-bromo-4-fluorophenyl)-7-ethylimidazo[4,5-c]pyridazine has a molecular weight of 321.15 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-fluorophenyl)-7-ethylimidazo[4,5-c]pyridazine is sourced from PubChem (CID 86723232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).