1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylethanol

C14H11ClF3NO — CID 106971550

IUPAC1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylethanol
SMILESOC(Cc1ccccc1)c1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C14H11ClF3NO/c15-13-10(6-7-12(19-13)14(16,17)18)11(20)8-9-4-2-1-3-5-9/h1-7,11,20H,8H2
InChIKeyUVHZDJDGJMGGBM-UHFFFAOYSA-N
MW301.70 g/mol
LogP4.03
Rot. Bonds3

About 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylethanol

1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylethanol (PubChem CID 106971550) has the molecular formula C14H11ClF3NO and a molecular weight of 301.70 g/mol. Its IUPAC name is 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylethanol.

Molecular Properties

Compound Name1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylethanol
PubChem CID106971550
Molecular FormulaC14H11ClF3NO
Molecular Weight301.70 g/mol
Exact Mass301.05
IUPAC Name1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylethanol
SMILESOC(Cc1ccccc1)c1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C14H11ClF3NO/c15-13-10(6-7-12(19-13)14(16,17)18)11(20)8-9-4-2-1-3-5-9/h1-7,11,20H,8H2
InChIKeyUVHZDJDGJMGGBM-UHFFFAOYSA-N
XLogP4.03
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.70
LogP ≤ 54.03
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

1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-pyridin-3-ylethanol
CID 106972010
1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-(2-methylphenyl)ethanol
CID 106972080
1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylsulfanylethanol
CID 106972112
1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-3,4,4-trimethylpentan-1-ol
CID 106972121
1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylethanone
CID 106971887
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-cyclohexylmethanol
CID 106971520
2-(2-bicyclo[2.2.1]heptanyl)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethanol
CID 106972022
7-bicyclo[4.2.0]octa-1,3,5-trienyl-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 106972145
(5-chloro-2-fluorophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 106971706
(4-bromophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 106971491
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2-methyl-3-pyridinyl)methanol
CID 106972085
(5-chlorothiophen-2-yl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 106971530

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylethanol?
The IUPAC name of 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylethanol (CID 106971550) is 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylethanol.
What is the SMILES notation for 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylethanol?
The canonical SMILES for 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylethanol is OC(Cc1ccccc1)c1ccc(C(F)(F)F)nc1Cl.
What is the InChIKey of 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylethanol?
The InChIKey is UVHZDJDGJMGGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3NO/c15-13-10(6-7-12(19-13)14(16,17)18)11(20)8-9-4-2-1-3-5-9/h1-7,11,20H,8H2.
What are the key properties of 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylethanol?
1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylethanol has a molecular weight of 301.70 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylethanol is sourced from PubChem (CID 106971550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).