(1S)-1-(3-chloro-2-pyridinyl)-2,2,2-trifluoroethanol

C7H5ClF3NO — CID 129453199

IUPAC(1S)-1-(3-chloro-2-pyridinyl)-2,2,2-trifluoroethanol
SMILESO[C@@H](c1ncccc1Cl)C(F)(F)F
InChIInChI=1S/C7H5ClF3NO/c8-4-2-1-3-12-5(4)6(13)7(9,10)11/h1-3,6,13H/t6-/m0/s1
InChIKeyYZQTYULXUULZJC-LURJTMIESA-N
MW211.57 g/mol
LogP2.33
Rot. Bonds1

About (1S)-1-(3-chloro-2-pyridinyl)-2,2,2-trifluoroethanol

(1S)-1-(3-chloro-2-pyridinyl)-2,2,2-trifluoroethanol (PubChem CID 129453199) has the molecular formula C7H5ClF3NO and a molecular weight of 211.57 g/mol. Its IUPAC name is (1S)-1-(3-chloro-2-pyridinyl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name(1S)-1-(3-chloro-2-pyridinyl)-2,2,2-trifluoroethanol
PubChem CID129453199
Molecular FormulaC7H5ClF3NO
Molecular Weight211.57 g/mol
Exact Mass211.00
IUPAC Name(1S)-1-(3-chloro-2-pyridinyl)-2,2,2-trifluoroethanol
SMILESO[C@@H](c1ncccc1Cl)C(F)(F)F
InChIInChI=1S/C7H5ClF3NO/c8-4-2-1-3-12-5(4)6(13)7(9,10)11/h1-3,6,13H/t6-/m0/s1
InChIKeyYZQTYULXUULZJC-LURJTMIESA-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

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Related Compounds

2-(3-chloro-2-pyridinyl)-2-fluoroacetic acid
CID 175281524
(1S)-1-(3-chloro-2-pyridinyl)ethanamine
CID 103663393
2-[(1R)-1-amino-2,2,2-trifluoroethyl]pyridin-3-amine
CID 130689786
1-(3-chloro-2-pyridinyl)-2,2-dimethylpropan-1-amine
CID 103852479
3-(3-chloro-2-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170823452
3-amino-1-(3-chloro-2-pyridinyl)propane-1,2-diol
CID 170827536
2-(tert-butylamino)-1-(3-chloro-2-pyridinyl)ethanol
CID 138472942
(1R)-1-(2-chloro-4-pyridinyl)-2,2,2-trifluoroethanol
CID 89034053
2-[(3-chloro-2-pyridinyl)-hydroxymethyl]prop-2-enoic acid
CID 175180352
3-(3-chloro-2-pyridinyl)butan-2-one
CID 63196359
1-(3-chloro-2-pyridinyl)ethane-1,2-diamine
CID 55293817
1-(3-chloro-2-pyridinyl)prop-2-yn-1-amine
CID 103443721

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-chloro-2-pyridinyl)-2,2,2-trifluoroethanol?
The IUPAC name of (1S)-1-(3-chloro-2-pyridinyl)-2,2,2-trifluoroethanol (CID 129453199) is (1S)-1-(3-chloro-2-pyridinyl)-2,2,2-trifluoroethanol.
What is the SMILES notation for (1S)-1-(3-chloro-2-pyridinyl)-2,2,2-trifluoroethanol?
The canonical SMILES for (1S)-1-(3-chloro-2-pyridinyl)-2,2,2-trifluoroethanol is O[C@@H](c1ncccc1Cl)C(F)(F)F.
What is the InChIKey of (1S)-1-(3-chloro-2-pyridinyl)-2,2,2-trifluoroethanol?
The InChIKey is YZQTYULXUULZJC-LURJTMIESA-N. The full InChI is InChI=1S/C7H5ClF3NO/c8-4-2-1-3-12-5(4)6(13)7(9,10)11/h1-3,6,13H/t6-/m0/s1.
What are the key properties of (1S)-1-(3-chloro-2-pyridinyl)-2,2,2-trifluoroethanol?
(1S)-1-(3-chloro-2-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 (1S)-1-(3-chloro-2-pyridinyl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 129453199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).