6-chloro-3-iodo-N-(3,3,3-trifluoro-2-methylpropyl)imidazo[1,2-b]pyridazin-8-amine

C10H9ClF3IN4 — CID 88585476

IUPAC6-chloro-3-iodo-N-(3,3,3-trifluoro-2-methylpropyl)imidazo[1,2-b]pyridazin-8-amine
SMILESCC(CNc1cc(Cl)nn2c(I)cnc12)C(F)(F)F
InChIInChI=1S/C10H9ClF3IN4/c1-5(10(12,13)14)3-16-6-2-7(11)18-19-8(15)4-17-9(6)19/h2,4-5,16H,3H2,1H3
InChIKeyJZQWFTRLVWPDGC-UHFFFAOYSA-N
MW404.56 g/mol
LogP3.60
Rot. Bonds3

About 6-chloro-3-iodo-N-(3,3,3-trifluoro-2-methylpropyl)imidazo[1,2-b]pyridazin-8-amine

6-chloro-3-iodo-N-(3,3,3-trifluoro-2-methylpropyl)imidazo[1,2-b]pyridazin-8-amine (PubChem CID 88585476) has the molecular formula C10H9ClF3IN4 and a molecular weight of 404.56 g/mol. Its IUPAC name is 6-chloro-3-iodo-N-(3,3,3-trifluoro-2-methylpropyl)imidazo[1,2-b]pyridazin-8-amine.

Molecular Properties

Compound Name6-chloro-3-iodo-N-(3,3,3-trifluoro-2-methylpropyl)imidazo[1,2-b]pyridazin-8-amine
PubChem CID88585476
Molecular FormulaC10H9ClF3IN4
Molecular Weight404.56 g/mol
Exact Mass403.95
IUPAC Name6-chloro-3-iodo-N-(3,3,3-trifluoro-2-methylpropyl)imidazo[1,2-b]pyridazin-8-amine
SMILESCC(CNc1cc(Cl)nn2c(I)cnc12)C(F)(F)F
InChIInChI=1S/C10H9ClF3IN4/c1-5(10(12,13)14)3-16-6-2-7(11)18-19-8(15)4-17-9(6)19/h2,4-5,16H,3H2,1H3
InChIKeyJZQWFTRLVWPDGC-UHFFFAOYSA-N
XLogP3.60
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 53.60
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-chloro-3-iodo-N-(3,3,3-trifluoro-2-methylpropyl)imidazo[1,2-b]pyridazin-8-amine?
The IUPAC name of 6-chloro-3-iodo-N-(3,3,3-trifluoro-2-methylpropyl)imidazo[1,2-b]pyridazin-8-amine (CID 88585476) is 6-chloro-3-iodo-N-(3,3,3-trifluoro-2-methylpropyl)imidazo[1,2-b]pyridazin-8-amine.
What is the SMILES notation for 6-chloro-3-iodo-N-(3,3,3-trifluoro-2-methylpropyl)imidazo[1,2-b]pyridazin-8-amine?
The canonical SMILES for 6-chloro-3-iodo-N-(3,3,3-trifluoro-2-methylpropyl)imidazo[1,2-b]pyridazin-8-amine is CC(CNc1cc(Cl)nn2c(I)cnc12)C(F)(F)F.
What is the InChIKey of 6-chloro-3-iodo-N-(3,3,3-trifluoro-2-methylpropyl)imidazo[1,2-b]pyridazin-8-amine?
The InChIKey is JZQWFTRLVWPDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3IN4/c1-5(10(12,13)14)3-16-6-2-7(11)18-19-8(15)4-17-9(6)19/h2,4-5,16H,3H2,1H3.
What are the key properties of 6-chloro-3-iodo-N-(3,3,3-trifluoro-2-methylpropyl)imidazo[1,2-b]pyridazin-8-amine?
6-chloro-3-iodo-N-(3,3,3-trifluoro-2-methylpropyl)imidazo[1,2-b]pyridazin-8-amine has a molecular weight of 404.56 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-iodo-N-(3,3,3-trifluoro-2-methylpropyl)imidazo[1,2-b]pyridazin-8-amine is sourced from PubChem (CID 88585476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).