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

C15H13ClF3NO — CID 106972080

IUPAC1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-(2-methylphenyl)ethanol
SMILESCc1ccccc1CC(O)c1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C15H13ClF3NO/c1-9-4-2-3-5-10(9)8-12(21)11-6-7-13(15(17,18)19)20-14(11)16/h2-7,12,21H,8H2,1H3
InChIKeyWZNDCEYNVQSMFN-UHFFFAOYSA-N
MW315.72 g/mol
LogP4.34
Rot. Bonds3

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

1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-(2-methylphenyl)ethanol (PubChem CID 106972080) has the molecular formula C15H13ClF3NO and a molecular weight of 315.72 g/mol. Its IUPAC name is 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-(2-methylphenyl)ethanol.

Molecular Properties

Compound Name1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-(2-methylphenyl)ethanol
PubChem CID106972080
Molecular FormulaC15H13ClF3NO
Molecular Weight315.72 g/mol
Exact Mass315.06
IUPAC Name1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-(2-methylphenyl)ethanol
SMILESCc1ccccc1CC(O)c1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C15H13ClF3NO/c1-9-4-2-3-5-10(9)8-12(21)11-6-7-13(15(17,18)19)20-14(11)16/h2-7,12,21H,8H2,1H3
InChIKeyWZNDCEYNVQSMFN-UHFFFAOYSA-N
XLogP4.34
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.72
LogP ≤ 54.34
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-phenylethanol
CID 106971550
1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-pyridin-3-ylethanol
CID 106972010
1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylsulfanylethanol
CID 106972112
1,2-bis(2-methylphenyl)ethanol
CID 60798292
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-fluoro-2-methylphenyl)methanol
CID 106972147
1-(2-chloro-5-fluorophenyl)-2-(2-methylphenyl)ethanol
CID 105394441
1-(2-chloro-3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethanol
CID 63895522
1-(2,6-dichlorophenyl)-2-(2-methylphenyl)ethanol
CID 63016225
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-cyclohexylmethanol
CID 106971520
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dimethylthiophen-3-yl)methanol
CID 106971544
1-(4-tert-butylthiadiazol-5-yl)-2-(2-methylphenyl)ethanol
CID 105078113
2-(2-bicyclo[2.2.1]heptanyl)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethanol
CID 106972022

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-(2-methylphenyl)ethanol?
The IUPAC name of 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-(2-methylphenyl)ethanol (CID 106972080) is 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-(2-methylphenyl)ethanol.
What is the SMILES notation for 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-(2-methylphenyl)ethanol?
The canonical SMILES for 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-(2-methylphenyl)ethanol is Cc1ccccc1CC(O)c1ccc(C(F)(F)F)nc1Cl.
What is the InChIKey of 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-(2-methylphenyl)ethanol?
The InChIKey is WZNDCEYNVQSMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NO/c1-9-4-2-3-5-10(9)8-12(21)11-6-7-13(15(17,18)19)20-14(11)16/h2-7,12,21H,8H2,1H3.
What are the key properties of 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-(2-methylphenyl)ethanol?
1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-(2-methylphenyl)ethanol has a molecular weight of 315.72 g/mol, XLogP of 4.34, 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-(2-methylphenyl)ethanol is sourced from PubChem (CID 106972080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).