2-[(6-chloropyridazin-3-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol

C9H11ClF3N3O — CID 107479168

IUPAC2-[(6-chloropyridazin-3-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESOCCN(Cc1ccc(Cl)nn1)CC(F)(F)F
InChIInChI=1S/C9H11ClF3N3O/c10-8-2-1-7(14-15-8)5-16(3-4-17)6-9(11,12)13/h1-2,17H,3-6H2
InChIKeyKJGFBAAWYXEREV-UHFFFAOYSA-N
MW269.65 g/mol
LogP1.49
Rot. Bonds5

About 2-[(6-chloropyridazin-3-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol

2-[(6-chloropyridazin-3-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107479168) has the molecular formula C9H11ClF3N3O and a molecular weight of 269.65 g/mol. Its IUPAC name is 2-[(6-chloropyridazin-3-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(6-chloropyridazin-3-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107479168
Molecular FormulaC9H11ClF3N3O
Molecular Weight269.65 g/mol
Exact Mass269.05
IUPAC Name2-[(6-chloropyridazin-3-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESOCCN(Cc1ccc(Cl)nn1)CC(F)(F)F
InChIInChI=1S/C9H11ClF3N3O/c10-8-2-1-7(14-15-8)5-16(3-4-17)6-9(11,12)13/h1-2,17H,3-6H2
InChIKeyKJGFBAAWYXEREV-UHFFFAOYSA-N
XLogP1.49
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.65
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-chloropyridazin-3-yl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107479149
2-[(6-methoxy-2-pyridinyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 103864888
2-[(3-chloro-2-fluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 102848141
2-[[4-(methylamino)-2-pyridinyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486280
2-[(4-ethylphenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 103864838
2-[(2-chloro-4-methylphenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107485767
3-[(2-chloro-4-pyridinyl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 111109913
2-[(3,4-difluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 113341314
2-[(2,5-difluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 103864964
2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107485818
2-[(2-propyl-1,3-thiazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 113339721
2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]benzamide
CID 107485874

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloropyridazin-3-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(6-chloropyridazin-3-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol (CID 107479168) is 2-[(6-chloropyridazin-3-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(6-chloropyridazin-3-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(6-chloropyridazin-3-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol is OCCN(Cc1ccc(Cl)nn1)CC(F)(F)F.
What is the InChIKey of 2-[(6-chloropyridazin-3-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is KJGFBAAWYXEREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF3N3O/c10-8-2-1-7(14-15-8)5-16(3-4-17)6-9(11,12)13/h1-2,17H,3-6H2.
What are the key properties of 2-[(6-chloropyridazin-3-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(6-chloropyridazin-3-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 269.65 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloropyridazin-3-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107479168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).