1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2,2,2-trifluoro-1-quinolin-6-ylethanol

C17H10ClF3N4O — CID 86635116

IUPAC1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2,2,2-trifluoro-1-quinolin-6-ylethanol
SMILESOC(c1ccc2ncccc2c1)(c1cnc2ccc(Cl)nn12)C(F)(F)F
InChIInChI=1S/C17H10ClF3N4O/c18-14-5-6-15-23-9-13(25(15)24-14)16(26,17(19,20)21)11-3-4-12-10(8-11)2-1-7-22-12/h1-9,26H
InChIKeySCVCVWGEXMQXMT-UHFFFAOYSA-N
MW378.74 g/mol
LogP3.73
Rot. Bonds2

About 1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2,2,2-trifluoro-1-quinolin-6-ylethanol

1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2,2,2-trifluoro-1-quinolin-6-ylethanol (PubChem CID 86635116) has the molecular formula C17H10ClF3N4O and a molecular weight of 378.74 g/mol. Its IUPAC name is 1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2,2,2-trifluoro-1-quinolin-6-ylethanol.

Molecular Properties

Compound Name1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2,2,2-trifluoro-1-quinolin-6-ylethanol
PubChem CID86635116
Molecular FormulaC17H10ClF3N4O
Molecular Weight378.74 g/mol
Exact Mass378.05
IUPAC Name1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2,2,2-trifluoro-1-quinolin-6-ylethanol
SMILESOC(c1ccc2ncccc2c1)(c1cnc2ccc(Cl)nn12)C(F)(F)F
InChIInChI=1S/C17H10ClF3N4O/c18-14-5-6-15-23-9-13(25(15)24-14)16(26,17(19,20)21)11-3-4-12-10(8-11)2-1-7-22-12/h1-9,26H
InChIKeySCVCVWGEXMQXMT-UHFFFAOYSA-N
XLogP3.73
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.74
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2,2,2-trifluoro-1-quinolin-6-ylethanol?
The IUPAC name of 1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2,2,2-trifluoro-1-quinolin-6-ylethanol (CID 86635116) is 1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2,2,2-trifluoro-1-quinolin-6-ylethanol.
What is the SMILES notation for 1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2,2,2-trifluoro-1-quinolin-6-ylethanol?
The canonical SMILES for 1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2,2,2-trifluoro-1-quinolin-6-ylethanol is OC(c1ccc2ncccc2c1)(c1cnc2ccc(Cl)nn12)C(F)(F)F.
What is the InChIKey of 1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2,2,2-trifluoro-1-quinolin-6-ylethanol?
The InChIKey is SCVCVWGEXMQXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF3N4O/c18-14-5-6-15-23-9-13(25(15)24-14)16(26,17(19,20)21)11-3-4-12-10(8-11)2-1-7-22-12/h1-9,26H.
What are the key properties of 1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2,2,2-trifluoro-1-quinolin-6-ylethanol?
1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2,2,2-trifluoro-1-quinolin-6-ylethanol has a molecular weight of 378.74 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2,2,2-trifluoro-1-quinolin-6-ylethanol is sourced from PubChem (CID 86635116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).