(2S)-2-amino-2-[3-(trifluoromethyl)-2-pyridinyl]ethanol

C8H9F3N2O — CID 131168070

IUPAC(2S)-2-amino-2-[3-(trifluoromethyl)-2-pyridinyl]ethanol
SMILESN[C@H](CO)c1ncccc1C(F)(F)F
InChIInChI=1S/C8H9F3N2O/c9-8(10,11)5-2-1-3-13-7(5)6(12)4-14/h1-3,6,14H,4,12H2/t6-/m1/s1
InChIKeyAZEPZGLANZFALK-ZCFIWIBFSA-N
MW206.17 g/mol
LogP1.09
Rot. Bonds2

About (2S)-2-amino-2-[3-(trifluoromethyl)-2-pyridinyl]ethanol

(2S)-2-amino-2-[3-(trifluoromethyl)-2-pyridinyl]ethanol (PubChem CID 131168070) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is (2S)-2-amino-2-[3-(trifluoromethyl)-2-pyridinyl]ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-[3-(trifluoromethyl)-2-pyridinyl]ethanol
PubChem CID131168070
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name(2S)-2-amino-2-[3-(trifluoromethyl)-2-pyridinyl]ethanol
SMILESN[C@H](CO)c1ncccc1C(F)(F)F
InChIInChI=1S/C8H9F3N2O/c9-8(10,11)5-2-1-3-13-7(5)6(12)4-14/h1-3,6,14H,4,12H2/t6-/m1/s1
InChIKeyAZEPZGLANZFALK-ZCFIWIBFSA-N
XLogP1.09
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[3-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 131017310
2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 59735101
2-[4-[(S)-amino-[3-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]ethanol
CID 71143945
2-amino-2-(3-methyl-2-pyridinyl)ethanol
CID 55293811
(2S)-2-amino-2-[2,6-bis(trifluoromethyl)phenyl]ethanol
CID 66515831
(2S)-2-amino-2-[2-(trifluoromethyl)phenyl]ethanol
CID 66514163
2-(2-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 78018930
2-amino-2-[2-(trifluoromethyl)phenyl]ethanol;methane
CID 160725618
cyclopropyl-[3-(trifluoromethyl)-2-pyridinyl]methanamine;hydrochloride
CID 131637723
(2R)-2-amino-2-(3-methoxy-2-pyridinyl)ethanol
CID 96850177
2-(1-amino-2-hydroxyethyl)pyridine-3-carboxylic acid
CID 55293543
3,4-dihydroxy-4-[3-(trifluoromethyl)-2-pyridinyl]butanamide
CID 171899581

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-[3-(trifluoromethyl)-2-pyridinyl]ethanol?
The IUPAC name of (2S)-2-amino-2-[3-(trifluoromethyl)-2-pyridinyl]ethanol (CID 131168070) is (2S)-2-amino-2-[3-(trifluoromethyl)-2-pyridinyl]ethanol.
What is the SMILES notation for (2S)-2-amino-2-[3-(trifluoromethyl)-2-pyridinyl]ethanol?
The canonical SMILES for (2S)-2-amino-2-[3-(trifluoromethyl)-2-pyridinyl]ethanol is N[C@H](CO)c1ncccc1C(F)(F)F.
What is the InChIKey of (2S)-2-amino-2-[3-(trifluoromethyl)-2-pyridinyl]ethanol?
The InChIKey is AZEPZGLANZFALK-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H9F3N2O/c9-8(10,11)5-2-1-3-13-7(5)6(12)4-14/h1-3,6,14H,4,12H2/t6-/m1/s1.
What are the key properties of (2S)-2-amino-2-[3-(trifluoromethyl)-2-pyridinyl]ethanol?
(2S)-2-amino-2-[3-(trifluoromethyl)-2-pyridinyl]ethanol has a molecular weight of 206.17 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-[3-(trifluoromethyl)-2-pyridinyl]ethanol is sourced from PubChem (CID 131168070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).