2-(3-chloro-4-fluorophenyl)-4-methyl-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-3-ol

C14H10ClF4NO2 — CID 123620852

IUPAC2-(3-chloro-4-fluorophenyl)-4-methyl-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-3-ol
SMILESCc1cc(C(O)C(F)(F)F)nc(-c2ccc(F)c(Cl)c2)c1O
InChIInChI=1S/C14H10ClF4NO2/c1-6-4-10(13(22)14(17,18)19)20-11(12(6)21)7-2-3-9(16)8(15)5-7/h2-5,13,21-22H,1H3
InChIKeyZIBZKBWDIUUCRF-UHFFFAOYSA-N
MW335.68 g/mol
LogP4.15
Rot. Bonds2

About 2-(3-chloro-4-fluorophenyl)-4-methyl-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-3-ol

2-(3-chloro-4-fluorophenyl)-4-methyl-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-3-ol (PubChem CID 123620852) has the molecular formula C14H10ClF4NO2 and a molecular weight of 335.68 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-4-methyl-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-3-ol.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-4-methyl-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-3-ol
PubChem CID123620852
Molecular FormulaC14H10ClF4NO2
Molecular Weight335.68 g/mol
Exact Mass335.03
IUPAC Name2-(3-chloro-4-fluorophenyl)-4-methyl-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-3-ol
SMILESCc1cc(C(O)C(F)(F)F)nc(-c2ccc(F)c(Cl)c2)c1O
InChIInChI=1S/C14H10ClF4NO2/c1-6-4-10(13(22)14(17,18)19)20-11(12(6)21)7-2-3-9(16)8(15)5-7/h2-5,13,21-22H,1H3
InChIKeyZIBZKBWDIUUCRF-UHFFFAOYSA-N
XLogP4.15
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.68
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-chloro-4-fluorophenyl)-4-methyl-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-3-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-4-methyl-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-3-ol?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-4-methyl-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-3-ol (CID 123620852) is 2-(3-chloro-4-fluorophenyl)-4-methyl-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-3-ol.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-4-methyl-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-3-ol?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-4-methyl-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-3-ol is Cc1cc(C(O)C(F)(F)F)nc(-c2ccc(F)c(Cl)c2)c1O.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-4-methyl-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-3-ol?
The InChIKey is ZIBZKBWDIUUCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF4NO2/c1-6-4-10(13(22)14(17,18)19)20-11(12(6)21)7-2-3-9(16)8(15)5-7/h2-5,13,21-22H,1H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-4-methyl-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-3-ol?
2-(3-chloro-4-fluorophenyl)-4-methyl-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-3-ol has a molecular weight of 335.68 g/mol, XLogP of 4.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-4-methyl-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-3-ol is sourced from PubChem (CID 123620852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).