2,2,2-trifluoro-1-[2-(1,2,4-oxadiazol-3-yl)-4-pyridinyl]ethanol

C9H6F3N3O2 — CID 146652936

IUPAC2,2,2-trifluoro-1-[2-(1,2,4-oxadiazol-3-yl)-4-pyridinyl]ethanol
SMILESOC(c1ccnc(-c2ncon2)c1)C(F)(F)F
InChIInChI=1S/C9H6F3N3O2/c10-9(11,12)7(16)5-1-2-13-6(3-5)8-14-4-17-15-8/h1-4,7,16H
InChIKeyRTGBBFAVGXHSHT-UHFFFAOYSA-N
MW245.16 g/mol
LogP1.73
Rot. Bonds2

About 2,2,2-trifluoro-1-[2-(1,2,4-oxadiazol-3-yl)-4-pyridinyl]ethanol

2,2,2-trifluoro-1-[2-(1,2,4-oxadiazol-3-yl)-4-pyridinyl]ethanol (PubChem CID 146652936) has the molecular formula C9H6F3N3O2 and a molecular weight of 245.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[2-(1,2,4-oxadiazol-3-yl)-4-pyridinyl]ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[2-(1,2,4-oxadiazol-3-yl)-4-pyridinyl]ethanol
PubChem CID146652936
Molecular FormulaC9H6F3N3O2
Molecular Weight245.16 g/mol
Exact Mass245.04
IUPAC Name2,2,2-trifluoro-1-[2-(1,2,4-oxadiazol-3-yl)-4-pyridinyl]ethanol
SMILESOC(c1ccnc(-c2ncon2)c1)C(F)(F)F
InChIInChI=1S/C9H6F3N3O2/c10-9(11,12)7(16)5-1-2-13-6(3-5)8-14-4-17-15-8/h1-4,7,16H
InChIKeyRTGBBFAVGXHSHT-UHFFFAOYSA-N
XLogP1.73
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.16
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,2,2-trifluoro-1-[2-(1,2,4-oxadiazol-3-yl)-4-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

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[2-(1,2,4-oxadiazol-3-yl)-4-pyridinyl]ethanol?
The IUPAC name of 2,2,2-trifluoro-1-[2-(1,2,4-oxadiazol-3-yl)-4-pyridinyl]ethanol (CID 146652936) is 2,2,2-trifluoro-1-[2-(1,2,4-oxadiazol-3-yl)-4-pyridinyl]ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-[2-(1,2,4-oxadiazol-3-yl)-4-pyridinyl]ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-[2-(1,2,4-oxadiazol-3-yl)-4-pyridinyl]ethanol is OC(c1ccnc(-c2ncon2)c1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[2-(1,2,4-oxadiazol-3-yl)-4-pyridinyl]ethanol?
The InChIKey is RTGBBFAVGXHSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3O2/c10-9(11,12)7(16)5-1-2-13-6(3-5)8-14-4-17-15-8/h1-4,7,16H.
What are the key properties of 2,2,2-trifluoro-1-[2-(1,2,4-oxadiazol-3-yl)-4-pyridinyl]ethanol?
2,2,2-trifluoro-1-[2-(1,2,4-oxadiazol-3-yl)-4-pyridinyl]ethanol has a molecular weight of 245.16 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[2-(1,2,4-oxadiazol-3-yl)-4-pyridinyl]ethanol is sourced from PubChem (CID 146652936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).