2-bromo-6-(2,3-dihydro-1H-inden-5-yl)imidazo[1,2-b]pyridazine

C15H12BrN3 — CID 116854761

IUPAC2-bromo-6-(2,3-dihydro-1H-inden-5-yl)imidazo[1,2-b]pyridazine
SMILESBrc1cn2nc(-c3ccc4c(c3)CCC4)ccc2n1
InChIInChI=1S/C15H12BrN3/c16-14-9-19-15(17-14)7-6-13(18-19)12-5-4-10-2-1-3-11(10)8-12/h4-9H,1-3H2
InChIKeyBRJKCBPHRRFVFH-UHFFFAOYSA-N
MW314.19 g/mol
LogP3.65
Rot. Bonds1

About 2-bromo-6-(2,3-dihydro-1H-inden-5-yl)imidazo[1,2-b]pyridazine

2-bromo-6-(2,3-dihydro-1H-inden-5-yl)imidazo[1,2-b]pyridazine (PubChem CID 116854761) has the molecular formula C15H12BrN3 and a molecular weight of 314.19 g/mol. Its IUPAC name is 2-bromo-6-(2,3-dihydro-1H-inden-5-yl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-bromo-6-(2,3-dihydro-1H-inden-5-yl)imidazo[1,2-b]pyridazine
PubChem CID116854761
Molecular FormulaC15H12BrN3
Molecular Weight314.19 g/mol
Exact Mass313.02
IUPAC Name2-bromo-6-(2,3-dihydro-1H-inden-5-yl)imidazo[1,2-b]pyridazine
SMILESBrc1cn2nc(-c3ccc4c(c3)CCC4)ccc2n1
InChIInChI=1S/C15H12BrN3/c16-14-9-19-15(17-14)7-6-13(18-19)12-5-4-10-2-1-3-11(10)8-12/h4-9H,1-3H2
InChIKeyBRJKCBPHRRFVFH-UHFFFAOYSA-N
XLogP3.65
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(2,3-dihydro-1H-inden-5-yl)imidazo[1,2-b]pyridazine?
The IUPAC name of 2-bromo-6-(2,3-dihydro-1H-inden-5-yl)imidazo[1,2-b]pyridazine (CID 116854761) is 2-bromo-6-(2,3-dihydro-1H-inden-5-yl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 2-bromo-6-(2,3-dihydro-1H-inden-5-yl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 2-bromo-6-(2,3-dihydro-1H-inden-5-yl)imidazo[1,2-b]pyridazine is Brc1cn2nc(-c3ccc4c(c3)CCC4)ccc2n1.
What is the InChIKey of 2-bromo-6-(2,3-dihydro-1H-inden-5-yl)imidazo[1,2-b]pyridazine?
The InChIKey is BRJKCBPHRRFVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3/c16-14-9-19-15(17-14)7-6-13(18-19)12-5-4-10-2-1-3-11(10)8-12/h4-9H,1-3H2.
What are the key properties of 2-bromo-6-(2,3-dihydro-1H-inden-5-yl)imidazo[1,2-b]pyridazine?
2-bromo-6-(2,3-dihydro-1H-inden-5-yl)imidazo[1,2-b]pyridazine has a molecular weight of 314.19 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(2,3-dihydro-1H-inden-5-yl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 116854761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).