6-bromo-3-iodo-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine

C9H7BrF3IN4 — CID 87110474

IUPAC6-bromo-3-iodo-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine
SMILESFC(F)(F)CCNc1cc(Br)nn2c(I)cnc12
InChIInChI=1S/C9H7BrF3IN4/c10-6-3-5(15-2-1-9(11,12)13)8-16-4-7(14)18(8)17-6/h3-4,15H,1-2H2
InChIKeyPCIQHGSRMDFYLI-UHFFFAOYSA-N
MW434.99 g/mol
LogP3.46
Rot. Bonds3

About 6-bromo-3-iodo-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine

6-bromo-3-iodo-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine (PubChem CID 87110474) has the molecular formula C9H7BrF3IN4 and a molecular weight of 434.99 g/mol. Its IUPAC name is 6-bromo-3-iodo-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine.

Molecular Properties

Compound Name6-bromo-3-iodo-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine
PubChem CID87110474
Molecular FormulaC9H7BrF3IN4
Molecular Weight434.99 g/mol
Exact Mass433.89
IUPAC Name6-bromo-3-iodo-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine
SMILESFC(F)(F)CCNc1cc(Br)nn2c(I)cnc12
InChIInChI=1S/C9H7BrF3IN4/c10-6-3-5(15-2-1-9(11,12)13)8-16-4-7(14)18(8)17-6/h3-4,15H,1-2H2
InChIKeyPCIQHGSRMDFYLI-UHFFFAOYSA-N
XLogP3.46
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.99
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-iodo-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine?
The IUPAC name of 6-bromo-3-iodo-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine (CID 87110474) is 6-bromo-3-iodo-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine.
What is the SMILES notation for 6-bromo-3-iodo-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine?
The canonical SMILES for 6-bromo-3-iodo-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine is FC(F)(F)CCNc1cc(Br)nn2c(I)cnc12.
What is the InChIKey of 6-bromo-3-iodo-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine?
The InChIKey is PCIQHGSRMDFYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF3IN4/c10-6-3-5(15-2-1-9(11,12)13)8-16-4-7(14)18(8)17-6/h3-4,15H,1-2H2.
What are the key properties of 6-bromo-3-iodo-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine?
6-bromo-3-iodo-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine has a molecular weight of 434.99 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-iodo-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine is sourced from PubChem (CID 87110474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).