(2S)-1,1,1-trifluoro-2-[6-(hydroxymethyl)-2-pyridinyl]propan-2-ol

C9H10F3NO2 — CID 153457012

IUPAC(2S)-1,1,1-trifluoro-2-[6-(hydroxymethyl)-2-pyridinyl]propan-2-ol
SMILESC[C@](O)(c1cccc(CO)n1)C(F)(F)F
InChIInChI=1S/C9H10F3NO2/c1-8(15,9(10,11)12)7-4-2-3-6(5-14)13-7/h2-4,14-15H,5H2,1H3/t8-/m0/s1
InChIKeyJEMFWDGYEUZOIT-QMMMGPOBSA-N
MW221.18 g/mol
LogP1.34
Rot. Bonds2

About (2S)-1,1,1-trifluoro-2-[6-(hydroxymethyl)-2-pyridinyl]propan-2-ol

(2S)-1,1,1-trifluoro-2-[6-(hydroxymethyl)-2-pyridinyl]propan-2-ol (PubChem CID 153457012) has the molecular formula C9H10F3NO2 and a molecular weight of 221.18 g/mol. Its IUPAC name is (2S)-1,1,1-trifluoro-2-[6-(hydroxymethyl)-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1,1,1-trifluoro-2-[6-(hydroxymethyl)-2-pyridinyl]propan-2-ol
PubChem CID153457012
Molecular FormulaC9H10F3NO2
Molecular Weight221.18 g/mol
Exact Mass221.07
IUPAC Name(2S)-1,1,1-trifluoro-2-[6-(hydroxymethyl)-2-pyridinyl]propan-2-ol
SMILESC[C@](O)(c1cccc(CO)n1)C(F)(F)F
InChIInChI=1S/C9H10F3NO2/c1-8(15,9(10,11)12)7-4-2-3-6(5-14)13-7/h2-4,14-15H,5H2,1H3/t8-/m0/s1
InChIKeyJEMFWDGYEUZOIT-QMMMGPOBSA-N
XLogP1.34
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[6-(hydroxymethyl)-2-pyridinyl]-2,2,4,4-tetramethylpentan-3-ol
CID 57068973
[6-(2-methylhexan-2-yl)-2-pyridinyl]methanol
CID 135272807
[6-(trifluoromethoxy)-2-pyridinyl]methanol
CID 130088886
piperidine;[6-(trifluoromethyl)-2-pyridinyl]methanol
CID 177205207
(6-ethyl-2-pyridinyl)methanol
CID 10749240
methyl 2-(6-tert-butyl-2-pyridinyl)acetate
CID 176631988
[6-(3,3-dimethylbutoxy)-2-pyridinyl]methanol
CID 66234998
ethane;(6-methyl-2-pyridinyl)methanol
CID 123372592
(6-methyl-2-pyridinyl)methanol;hydrochloride
CID 18413908
ethyl 4-[6-(hydroxymethyl)-2-pyridinyl]-4-methylpentanoate
CID 135255927
2-[6-(2-aminoethyl)-2-pyridinyl]propan-2-ol
CID 155007002
2,2-dimethyl-3-[6-(trifluoromethyl)-2-pyridinyl]propanoic acid
CID 171538306

Frequently Asked Questions

What is the IUPAC name of (2S)-1,1,1-trifluoro-2-[6-(hydroxymethyl)-2-pyridinyl]propan-2-ol?
The IUPAC name of (2S)-1,1,1-trifluoro-2-[6-(hydroxymethyl)-2-pyridinyl]propan-2-ol (CID 153457012) is (2S)-1,1,1-trifluoro-2-[6-(hydroxymethyl)-2-pyridinyl]propan-2-ol.
What is the SMILES notation for (2S)-1,1,1-trifluoro-2-[6-(hydroxymethyl)-2-pyridinyl]propan-2-ol?
The canonical SMILES for (2S)-1,1,1-trifluoro-2-[6-(hydroxymethyl)-2-pyridinyl]propan-2-ol is C[C@](O)(c1cccc(CO)n1)C(F)(F)F.
What is the InChIKey of (2S)-1,1,1-trifluoro-2-[6-(hydroxymethyl)-2-pyridinyl]propan-2-ol?
The InChIKey is JEMFWDGYEUZOIT-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H10F3NO2/c1-8(15,9(10,11)12)7-4-2-3-6(5-14)13-7/h2-4,14-15H,5H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-1,1,1-trifluoro-2-[6-(hydroxymethyl)-2-pyridinyl]propan-2-ol?
(2S)-1,1,1-trifluoro-2-[6-(hydroxymethyl)-2-pyridinyl]propan-2-ol has a molecular weight of 221.18 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1,1-trifluoro-2-[6-(hydroxymethyl)-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 153457012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).