2-[[4-(hydroxymethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol

C10H13F3N2O2 — CID 107484659

IUPAC2-[[4-(hydroxymethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESOCCN(CC(F)(F)F)c1cc(CO)ccn1
InChIInChI=1S/C10H13F3N2O2/c11-10(12,13)7-15(3-4-16)9-5-8(6-17)1-2-14-9/h1-2,5,16-17H,3-4,6-7H2
InChIKeyVLQUIEASAHEBDD-UHFFFAOYSA-N
MW250.22 g/mol
LogP0.93
Rot. Bonds5

About 2-[[4-(hydroxymethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol

2-[[4-(hydroxymethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107484659) has the molecular formula C10H13F3N2O2 and a molecular weight of 250.22 g/mol. Its IUPAC name is 2-[[4-(hydroxymethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[4-(hydroxymethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107484659
Molecular FormulaC10H13F3N2O2
Molecular Weight250.22 g/mol
Exact Mass250.09
IUPAC Name2-[[4-(hydroxymethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESOCCN(CC(F)(F)F)c1cc(CO)ccn1
InChIInChI=1S/C10H13F3N2O2/c11-10(12,13)7-15(3-4-16)9-5-8(6-17)1-2-14-9/h1-2,5,16-17H,3-4,6-7H2
InChIKeyVLQUIEASAHEBDD-UHFFFAOYSA-N
XLogP0.93
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-[1-(methylamino)ethyl]-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107480595
2-[[4-(hydroxymethyl)-6-propan-2-yl-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484677
2-[2,2,2-trifluoroethyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]ethanol
CID 107484538
2-[(5-amino-2-pyridinyl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107478357
[2-(dimethylamino)-4-pyridinyl]methanol
CID 22625066
2-[propyl-[4-(trifluoromethyl)-2-pyridinyl]amino]ethanol
CID 66330070
[2-[3-(diethylamino)propyl-ethylamino]-4-pyridinyl]methanol
CID 102996028
N-ethyl-4-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 55059635
2-[[5-(ethylaminomethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107481493
[2-[2-(dimethylamino)ethyl-methylamino]-4-pyridinyl]methanol
CID 63698708
[2-[2-methoxyethyl(3-methoxypropyl)amino]-4-pyridinyl]methanol
CID 54989948
2-[(7-chloroquinolin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484431

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(hydroxymethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[[4-(hydroxymethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol (CID 107484659) is 2-[[4-(hydroxymethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[4-(hydroxymethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[4-(hydroxymethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol is OCCN(CC(F)(F)F)c1cc(CO)ccn1.
What is the InChIKey of 2-[[4-(hydroxymethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is VLQUIEASAHEBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2/c11-10(12,13)7-15(3-4-16)9-5-8(6-17)1-2-14-9/h1-2,5,16-17H,3-4,6-7H2.
What are the key properties of 2-[[4-(hydroxymethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol?
2-[[4-(hydroxymethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 250.22 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(hydroxymethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107484659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).