2,2,2-trifluoro-1-(1-phenylindazol-5-yl)-1-pyridin-2-ylethanol

C20H14F3N3O — CID 15980859

IUPAC2,2,2-trifluoro-1-(1-phenylindazol-5-yl)-1-pyridin-2-ylethanol
SMILESOC(c1ccc2c(cnn2-c2ccccc2)c1)(c1ccccn1)C(F)(F)F
InChIInChI=1S/C20H14F3N3O/c21-20(22,23)19(27,18-8-4-5-11-24-18)15-9-10-17-14(12-15)13-25-26(17)16-6-2-1-3-7-16/h1-13,27H
InChIKeyAEWVBDBBDOCYFZ-UHFFFAOYSA-N
MW369.35 g/mol
LogP4.22
Rot. Bonds3

About 2,2,2-trifluoro-1-(1-phenylindazol-5-yl)-1-pyridin-2-ylethanol

2,2,2-trifluoro-1-(1-phenylindazol-5-yl)-1-pyridin-2-ylethanol (PubChem CID 15980859) has the molecular formula C20H14F3N3O and a molecular weight of 369.35 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(1-phenylindazol-5-yl)-1-pyridin-2-ylethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(1-phenylindazol-5-yl)-1-pyridin-2-ylethanol
PubChem CID15980859
Molecular FormulaC20H14F3N3O
Molecular Weight369.35 g/mol
Exact Mass369.11
IUPAC Name2,2,2-trifluoro-1-(1-phenylindazol-5-yl)-1-pyridin-2-ylethanol
SMILESOC(c1ccc2c(cnn2-c2ccccc2)c1)(c1ccccn1)C(F)(F)F
InChIInChI=1S/C20H14F3N3O/c21-20(22,23)19(27,18-8-4-5-11-24-18)15-9-10-17-14(12-15)13-25-26(17)16-6-2-1-3-7-16/h1-13,27H
InChIKeyAEWVBDBBDOCYFZ-UHFFFAOYSA-N
XLogP4.22
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2,2-trifluoro-1-(1-phenylindazol-5-yl)-1-pyridin-2-ylethanol 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-(1-phenylindazol-5-yl)-1-pyridin-2-ylethanol?
The IUPAC name of 2,2,2-trifluoro-1-(1-phenylindazol-5-yl)-1-pyridin-2-ylethanol (CID 15980859) is 2,2,2-trifluoro-1-(1-phenylindazol-5-yl)-1-pyridin-2-ylethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(1-phenylindazol-5-yl)-1-pyridin-2-ylethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(1-phenylindazol-5-yl)-1-pyridin-2-ylethanol is OC(c1ccc2c(cnn2-c2ccccc2)c1)(c1ccccn1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(1-phenylindazol-5-yl)-1-pyridin-2-ylethanol?
The InChIKey is AEWVBDBBDOCYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O/c21-20(22,23)19(27,18-8-4-5-11-24-18)15-9-10-17-14(12-15)13-25-26(17)16-6-2-1-3-7-16/h1-13,27H.
What are the key properties of 2,2,2-trifluoro-1-(1-phenylindazol-5-yl)-1-pyridin-2-ylethanol?
2,2,2-trifluoro-1-(1-phenylindazol-5-yl)-1-pyridin-2-ylethanol has a molecular weight of 369.35 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(1-phenylindazol-5-yl)-1-pyridin-2-ylethanol is sourced from PubChem (CID 15980859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).