(1R)-1-(2-chloro-4-pyridinyl)-2,2,2-trifluoroethanol

C7H5ClF3NO — CID 89034053

IUPAC(1R)-1-(2-chloro-4-pyridinyl)-2,2,2-trifluoroethanol
SMILESO[C@H](c1ccnc(Cl)c1)C(F)(F)F
InChIInChI=1S/C7H5ClF3NO/c8-5-3-4(1-2-12-5)6(13)7(9,10)11/h1-3,6,13H/t6-/m1/s1
InChIKeyCKRHTOYGHUTCNF-ZCFIWIBFSA-N
MW211.57 g/mol
LogP2.33
Rot. Bonds1

About (1R)-1-(2-chloro-4-pyridinyl)-2,2,2-trifluoroethanol

(1R)-1-(2-chloro-4-pyridinyl)-2,2,2-trifluoroethanol (PubChem CID 89034053) has the molecular formula C7H5ClF3NO and a molecular weight of 211.57 g/mol. Its IUPAC name is (1R)-1-(2-chloro-4-pyridinyl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name(1R)-1-(2-chloro-4-pyridinyl)-2,2,2-trifluoroethanol
PubChem CID89034053
Molecular FormulaC7H5ClF3NO
Molecular Weight211.57 g/mol
Exact Mass211.00
IUPAC Name(1R)-1-(2-chloro-4-pyridinyl)-2,2,2-trifluoroethanol
SMILESO[C@H](c1ccnc(Cl)c1)C(F)(F)F
InChIInChI=1S/C7H5ClF3NO/c8-5-3-4(1-2-12-5)6(13)7(9,10)11/h1-3,6,13H/t6-/m1/s1
InChIKeyCKRHTOYGHUTCNF-ZCFIWIBFSA-N
XLogP2.33
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.57
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-bromo-1-(2-chloro-4-pyridinyl)butane-1,2-diol
CID 171891492
1-(2-chloro-4-pyridinyl)propane-1,2,3-triol
CID 170817359
2,2,2-trifluoro-1-[2-(1,2,4-oxadiazol-3-yl)-4-pyridinyl]ethanol
CID 146652936
(1S,2S)-2-amino-1-(2-chloro-4-pyridinyl)-3-methylbutan-1-ol
CID 130970930
(1S)-1-(3-chloro-2-pyridinyl)-2,2,2-trifluoroethanol
CID 129453199
[1-(2-chloro-4-pyridinyl)-5,5,5-trifluoropentyl]hydrazine
CID 105252699
(1R,2R)-2-amino-1-(2-chloro-4-pyridinyl)butan-1-ol
CID 131060387
[(2-chloro-4-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105252881
1-(2-chloro-4-pyridinyl)-2-methylpropan-1-amine
CID 55294166
3-[(2-chloro-4-pyridinyl)-hydroxymethyl]-4-fluorobenzonitrile
CID 88956457
(1S)-2,2,2-trifluoro-1-phenylethanol
CID 1472401
1-(3-bromophenyl)-2,2,2-trifluoroethanol
CID 23423062

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-chloro-4-pyridinyl)-2,2,2-trifluoroethanol?
The IUPAC name of (1R)-1-(2-chloro-4-pyridinyl)-2,2,2-trifluoroethanol (CID 89034053) is (1R)-1-(2-chloro-4-pyridinyl)-2,2,2-trifluoroethanol.
What is the SMILES notation for (1R)-1-(2-chloro-4-pyridinyl)-2,2,2-trifluoroethanol?
The canonical SMILES for (1R)-1-(2-chloro-4-pyridinyl)-2,2,2-trifluoroethanol is O[C@H](c1ccnc(Cl)c1)C(F)(F)F.
What is the InChIKey of (1R)-1-(2-chloro-4-pyridinyl)-2,2,2-trifluoroethanol?
The InChIKey is CKRHTOYGHUTCNF-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H5ClF3NO/c8-5-3-4(1-2-12-5)6(13)7(9,10)11/h1-3,6,13H/t6-/m1/s1.
What are the key properties of (1R)-1-(2-chloro-4-pyridinyl)-2,2,2-trifluoroethanol?
(1R)-1-(2-chloro-4-pyridinyl)-2,2,2-trifluoroethanol has a molecular weight of 211.57 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-chloro-4-pyridinyl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 89034053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).