6-chloro-8-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine

C11H10ClF3N4 — CID 157032387

IUPAC6-chloro-8-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine
SMILESFC(F)(F)[C@@H]1CCN(c2cc(Cl)nn3ccnc23)C1
InChIInChI=1S/C11H10ClF3N4/c12-9-5-8(10-16-2-4-19(10)17-9)18-3-1-7(6-18)11(13,14)15/h2,4-5,7H,1,3,6H2/t7-/m1/s1
InChIKeyLQTVBOUOYFYOOF-SSDOTTSWSA-N
MW290.68 g/mol
LogP2.77
Rot. Bonds1

About 6-chloro-8-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine

6-chloro-8-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine (PubChem CID 157032387) has the molecular formula C11H10ClF3N4 and a molecular weight of 290.68 g/mol. Its IUPAC name is 6-chloro-8-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-chloro-8-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine
PubChem CID157032387
Molecular FormulaC11H10ClF3N4
Molecular Weight290.68 g/mol
Exact Mass290.05
IUPAC Name6-chloro-8-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine
SMILESFC(F)(F)[C@@H]1CCN(c2cc(Cl)nn3ccnc23)C1
InChIInChI=1S/C11H10ClF3N4/c12-9-5-8(10-16-2-4-19(10)17-9)18-3-1-7(6-18)11(13,14)15/h2,4-5,7H,1,3,6H2/t7-/m1/s1
InChIKeyLQTVBOUOYFYOOF-SSDOTTSWSA-N
XLogP2.77
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.68
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine?
The IUPAC name of 6-chloro-8-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine (CID 157032387) is 6-chloro-8-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-chloro-8-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-chloro-8-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine is FC(F)(F)[C@@H]1CCN(c2cc(Cl)nn3ccnc23)C1.
What is the InChIKey of 6-chloro-8-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine?
The InChIKey is LQTVBOUOYFYOOF-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H10ClF3N4/c12-9-5-8(10-16-2-4-19(10)17-9)18-3-1-7(6-18)11(13,14)15/h2,4-5,7H,1,3,6H2/t7-/m1/s1.
What are the key properties of 6-chloro-8-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine?
6-chloro-8-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine has a molecular weight of 290.68 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 157032387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).