[3-chloro-6-[propyl(2,2,2-trifluoroethyl)amino]-2-pyridinyl]methanol

C11H14ClF3N2O — CID 55009183

IUPAC[3-chloro-6-[propyl(2,2,2-trifluoroethyl)amino]-2-pyridinyl]methanol
SMILESCCCN(CC(F)(F)F)c1ccc(Cl)c(CO)n1
InChIInChI=1S/C11H14ClF3N2O/c1-2-5-17(7-11(13,14)15)10-4-3-8(12)9(6-18)16-10/h3-4,18H,2,5-7H2,1H3
InChIKeyIWJUPZOMQNOWMK-UHFFFAOYSA-N
MW282.69 g/mol
LogP3.01
Rot. Bonds5

About [3-chloro-6-[propyl(2,2,2-trifluoroethyl)amino]-2-pyridinyl]methanol

[3-chloro-6-[propyl(2,2,2-trifluoroethyl)amino]-2-pyridinyl]methanol (PubChem CID 55009183) has the molecular formula C11H14ClF3N2O and a molecular weight of 282.69 g/mol. Its IUPAC name is [3-chloro-6-[propyl(2,2,2-trifluoroethyl)amino]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-chloro-6-[propyl(2,2,2-trifluoroethyl)amino]-2-pyridinyl]methanol
PubChem CID55009183
Molecular FormulaC11H14ClF3N2O
Molecular Weight282.69 g/mol
Exact Mass282.07
IUPAC Name[3-chloro-6-[propyl(2,2,2-trifluoroethyl)amino]-2-pyridinyl]methanol
SMILESCCCN(CC(F)(F)F)c1ccc(Cl)c(CO)n1
InChIInChI=1S/C11H14ClF3N2O/c1-2-5-17(7-11(13,14)15)10-4-3-8(12)9(6-18)16-10/h3-4,18H,2,5-7H2,1H3
InChIKeyIWJUPZOMQNOWMK-UHFFFAOYSA-N
XLogP3.01
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.69
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-chloro-6-[propyl(2,2,2-trifluoroethyl)amino]-2-pyridinyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-[propyl(2,2,2-trifluoroethyl)amino]-2-pyridinyl]methanol?
The IUPAC name of [3-chloro-6-[propyl(2,2,2-trifluoroethyl)amino]-2-pyridinyl]methanol (CID 55009183) is [3-chloro-6-[propyl(2,2,2-trifluoroethyl)amino]-2-pyridinyl]methanol.
What is the SMILES notation for [3-chloro-6-[propyl(2,2,2-trifluoroethyl)amino]-2-pyridinyl]methanol?
The canonical SMILES for [3-chloro-6-[propyl(2,2,2-trifluoroethyl)amino]-2-pyridinyl]methanol is CCCN(CC(F)(F)F)c1ccc(Cl)c(CO)n1.
What is the InChIKey of [3-chloro-6-[propyl(2,2,2-trifluoroethyl)amino]-2-pyridinyl]methanol?
The InChIKey is IWJUPZOMQNOWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF3N2O/c1-2-5-17(7-11(13,14)15)10-4-3-8(12)9(6-18)16-10/h3-4,18H,2,5-7H2,1H3.
What are the key properties of [3-chloro-6-[propyl(2,2,2-trifluoroethyl)amino]-2-pyridinyl]methanol?
[3-chloro-6-[propyl(2,2,2-trifluoroethyl)amino]-2-pyridinyl]methanol has a molecular weight of 282.69 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-[propyl(2,2,2-trifluoroethyl)amino]-2-pyridinyl]methanol is sourced from PubChem (CID 55009183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).