2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbaldehyde

C8H4F3N3O — CID 159764415

IUPAC2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbaldehyde
SMILESO=Cc1ccc2nc(C(F)(F)F)cn2n1
InChIInChI=1S/C8H4F3N3O/c9-8(10,11)6-3-14-7(12-6)2-1-5(4-15)13-14/h1-4H
InChIKeyNFHUGJPHSPWRTN-UHFFFAOYSA-N
MW215.13 g/mol
LogP1.56
Rot. Bonds1

About 2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbaldehyde

2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbaldehyde (PubChem CID 159764415) has the molecular formula C8H4F3N3O and a molecular weight of 215.13 g/mol. Its IUPAC name is 2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbaldehyde.

Molecular Properties

Compound Name2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbaldehyde
PubChem CID159764415
Molecular FormulaC8H4F3N3O
Molecular Weight215.13 g/mol
Exact Mass215.03
IUPAC Name2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbaldehyde
SMILESO=Cc1ccc2nc(C(F)(F)F)cn2n1
InChIInChI=1S/C8H4F3N3O/c9-8(10,11)6-3-14-7(12-6)2-1-5(4-15)13-14/h1-4H
InChIKeyNFHUGJPHSPWRTN-UHFFFAOYSA-N
XLogP1.56
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.13
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbaldehyde?
The IUPAC name of 2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbaldehyde (CID 159764415) is 2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbaldehyde.
What is the SMILES notation for 2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbaldehyde?
The canonical SMILES for 2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbaldehyde is O=Cc1ccc2nc(C(F)(F)F)cn2n1.
What is the InChIKey of 2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbaldehyde?
The InChIKey is NFHUGJPHSPWRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3N3O/c9-8(10,11)6-3-14-7(12-6)2-1-5(4-15)13-14/h1-4H.
What are the key properties of 2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbaldehyde?
2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbaldehyde has a molecular weight of 215.13 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbaldehyde is sourced from PubChem (CID 159764415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).