2-(2-chloro-4-methylphenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol

C15H13ClF3NO — CID 106867992

IUPAC2-(2-chloro-4-methylphenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol
SMILESCc1ccc(CC(O)c2ccc(C(F)(F)F)cn2)c(Cl)c1
InChIInChI=1S/C15H13ClF3NO/c1-9-2-3-10(12(16)6-9)7-14(21)13-5-4-11(8-20-13)15(17,18)19/h2-6,8,14,21H,7H2,1H3
InChIKeyWBSZARPRXGQHBK-UHFFFAOYSA-N
MW315.72 g/mol
LogP4.34
Rot. Bonds3

About 2-(2-chloro-4-methylphenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol

2-(2-chloro-4-methylphenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol (PubChem CID 106867992) has the molecular formula C15H13ClF3NO and a molecular weight of 315.72 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol
PubChem CID106867992
Molecular FormulaC15H13ClF3NO
Molecular Weight315.72 g/mol
Exact Mass315.06
IUPAC Name2-(2-chloro-4-methylphenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol
SMILESCc1ccc(CC(O)c2ccc(C(F)(F)F)cn2)c(Cl)c1
InChIInChI=1S/C15H13ClF3NO/c1-9-2-3-10(12(16)6-9)7-14(21)13-5-4-11(8-20-13)15(17,18)19/h2-6,8,14,21H,7H2,1H3
InChIKeyWBSZARPRXGQHBK-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

Analyze 2-(2-chloro-4-methylphenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,4-dichlorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol
CID 105086791
2-(2-chloro-4-methylphenyl)-1-pyrazin-2-ylethanol
CID 106867263
2-(4-bromo-2-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol
CID 105089225
2-(2-bromo-4-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol
CID 105087921
(2R)-3-(2-chloro-4-methylphenyl)-1,1,1-trifluoropropan-2-ol
CID 106867561
bis[5-(trifluoromethyl)-2-pyridinyl]methanol
CID 170433737
1,2-bis(2-chloro-4-methylphenyl)ethanol
CID 106868189
2-(2-chloro-4-methylphenyl)-1-(5-chloro-1,3-thiazol-2-yl)ethanol
CID 107124945
2-(2-chloro-4-methylphenyl)-1-(3,4-dichlorophenyl)ethanol
CID 106866180
1-(2-chloro-4-methylphenyl)-4,4,4-trifluorobutan-2-ol
CID 106867273
2-(5-bromothiophen-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol
CID 105087304
2-(3,4-dichlorophenyl)-1-(5-methyl-2-pyridinyl)ethanol
CID 81319833

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol?
The IUPAC name of 2-(2-chloro-4-methylphenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol (CID 106867992) is 2-(2-chloro-4-methylphenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol.
What is the SMILES notation for 2-(2-chloro-4-methylphenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol?
The canonical SMILES for 2-(2-chloro-4-methylphenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol is Cc1ccc(CC(O)c2ccc(C(F)(F)F)cn2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylphenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol?
The InChIKey is WBSZARPRXGQHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NO/c1-9-2-3-10(12(16)6-9)7-14(21)13-5-4-11(8-20-13)15(17,18)19/h2-6,8,14,21H,7H2,1H3.
What are the key properties of 2-(2-chloro-4-methylphenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol?
2-(2-chloro-4-methylphenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]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 2-(2-chloro-4-methylphenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol is sourced from PubChem (CID 106867992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).