7-bromo-3-iodo-N-(4,4,4-trifluorobutyl)imidazo[1,2-b]pyridazin-8-amine

C10H9BrF3IN4 — CID 66692150

IUPAC7-bromo-3-iodo-N-(4,4,4-trifluorobutyl)imidazo[1,2-b]pyridazin-8-amine
SMILESFC(F)(F)CCCNc1c(Br)cnn2c(I)cnc12
InChIInChI=1S/C10H9BrF3IN4/c11-6-4-18-19-7(15)5-17-9(19)8(6)16-3-1-2-10(12,13)14/h4-5,16H,1-3H2
InChIKeyKKVODHIHFLWJSI-UHFFFAOYSA-N
MW449.01 g/mol
LogP3.85
Rot. Bonds4

About 7-bromo-3-iodo-N-(4,4,4-trifluorobutyl)imidazo[1,2-b]pyridazin-8-amine

7-bromo-3-iodo-N-(4,4,4-trifluorobutyl)imidazo[1,2-b]pyridazin-8-amine (PubChem CID 66692150) has the molecular formula C10H9BrF3IN4 and a molecular weight of 449.01 g/mol. Its IUPAC name is 7-bromo-3-iodo-N-(4,4,4-trifluorobutyl)imidazo[1,2-b]pyridazin-8-amine.

Molecular Properties

Compound Name7-bromo-3-iodo-N-(4,4,4-trifluorobutyl)imidazo[1,2-b]pyridazin-8-amine
PubChem CID66692150
Molecular FormulaC10H9BrF3IN4
Molecular Weight449.01 g/mol
Exact Mass447.90
IUPAC Name7-bromo-3-iodo-N-(4,4,4-trifluorobutyl)imidazo[1,2-b]pyridazin-8-amine
SMILESFC(F)(F)CCCNc1c(Br)cnn2c(I)cnc12
InChIInChI=1S/C10H9BrF3IN4/c11-6-4-18-19-7(15)5-17-9(19)8(6)16-3-1-2-10(12,13)14/h4-5,16H,1-3H2
InChIKeyKKVODHIHFLWJSI-UHFFFAOYSA-N
XLogP3.85
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.01
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-iodo-N-(4,4,4-trifluorobutyl)imidazo[1,2-b]pyridazin-8-amine?
The IUPAC name of 7-bromo-3-iodo-N-(4,4,4-trifluorobutyl)imidazo[1,2-b]pyridazin-8-amine (CID 66692150) is 7-bromo-3-iodo-N-(4,4,4-trifluorobutyl)imidazo[1,2-b]pyridazin-8-amine.
What is the SMILES notation for 7-bromo-3-iodo-N-(4,4,4-trifluorobutyl)imidazo[1,2-b]pyridazin-8-amine?
The canonical SMILES for 7-bromo-3-iodo-N-(4,4,4-trifluorobutyl)imidazo[1,2-b]pyridazin-8-amine is FC(F)(F)CCCNc1c(Br)cnn2c(I)cnc12.
What is the InChIKey of 7-bromo-3-iodo-N-(4,4,4-trifluorobutyl)imidazo[1,2-b]pyridazin-8-amine?
The InChIKey is KKVODHIHFLWJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF3IN4/c11-6-4-18-19-7(15)5-17-9(19)8(6)16-3-1-2-10(12,13)14/h4-5,16H,1-3H2.
What are the key properties of 7-bromo-3-iodo-N-(4,4,4-trifluorobutyl)imidazo[1,2-b]pyridazin-8-amine?
7-bromo-3-iodo-N-(4,4,4-trifluorobutyl)imidazo[1,2-b]pyridazin-8-amine has a molecular weight of 449.01 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-iodo-N-(4,4,4-trifluorobutyl)imidazo[1,2-b]pyridazin-8-amine is sourced from PubChem (CID 66692150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).