2-bromo-6-chloro-7-methylimidazo[1,2-b]pyridazine

C7H5BrClN3 — CID 86618519

IUPAC2-bromo-6-chloro-7-methylimidazo[1,2-b]pyridazine
SMILESCc1cc2nc(Br)cn2nc1Cl
InChIInChI=1S/C7H5BrClN3/c1-4-2-6-10-5(8)3-12(6)11-7(4)9/h2-3H,1H3
InChIKeyKJELTTDAELVEKN-UHFFFAOYSA-N
MW246.50 g/mol
LogP2.45
Rot. Bonds

About 2-bromo-6-chloro-7-methylimidazo[1,2-b]pyridazine

2-bromo-6-chloro-7-methylimidazo[1,2-b]pyridazine (PubChem CID 86618519) has the molecular formula C7H5BrClN3 and a molecular weight of 246.50 g/mol. Its IUPAC name is 2-bromo-6-chloro-7-methylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-bromo-6-chloro-7-methylimidazo[1,2-b]pyridazine
PubChem CID86618519
Molecular FormulaC7H5BrClN3
Molecular Weight246.50 g/mol
Exact Mass244.94
IUPAC Name2-bromo-6-chloro-7-methylimidazo[1,2-b]pyridazine
SMILESCc1cc2nc(Br)cn2nc1Cl
InChIInChI=1S/C7H5BrClN3/c1-4-2-6-10-5(8)3-12(6)11-7(4)9/h2-3H,1H3
InChIKeyKJELTTDAELVEKN-UHFFFAOYSA-N
XLogP2.45
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.50
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-chloro-7-methylimidazo[1,2-b]pyridazine?
The IUPAC name of 2-bromo-6-chloro-7-methylimidazo[1,2-b]pyridazine (CID 86618519) is 2-bromo-6-chloro-7-methylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 2-bromo-6-chloro-7-methylimidazo[1,2-b]pyridazine?
The canonical SMILES for 2-bromo-6-chloro-7-methylimidazo[1,2-b]pyridazine is Cc1cc2nc(Br)cn2nc1Cl.
What is the InChIKey of 2-bromo-6-chloro-7-methylimidazo[1,2-b]pyridazine?
The InChIKey is KJELTTDAELVEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClN3/c1-4-2-6-10-5(8)3-12(6)11-7(4)9/h2-3H,1H3.
What are the key properties of 2-bromo-6-chloro-7-methylimidazo[1,2-b]pyridazine?
2-bromo-6-chloro-7-methylimidazo[1,2-b]pyridazine has a molecular weight of 246.50 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-chloro-7-methylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 86618519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).