[5-bromo-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanol

C8H7BrF3NO2 — CID 67509343

IUPAC[5-bromo-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanol
SMILESOCc1cnc(OCC(F)(F)F)c(Br)c1
InChIInChI=1S/C8H7BrF3NO2/c9-6-1-5(3-14)2-13-7(6)15-4-8(10,11)12/h1-2,14H,3-4H2
InChIKeyADIUYGDLVBJEAG-UHFFFAOYSA-N
MW286.05 g/mol
LogP2.28
Rot. Bonds3

About [5-bromo-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanol

[5-bromo-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanol (PubChem CID 67509343) has the molecular formula C8H7BrF3NO2 and a molecular weight of 286.05 g/mol. Its IUPAC name is [5-bromo-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-bromo-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanol
PubChem CID67509343
Molecular FormulaC8H7BrF3NO2
Molecular Weight286.05 g/mol
Exact Mass284.96
IUPAC Name[5-bromo-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanol
SMILESOCc1cnc(OCC(F)(F)F)c(Br)c1
InChIInChI=1S/C8H7BrF3NO2/c9-6-1-5(3-14)2-13-7(6)15-4-8(10,11)12/h1-2,14H,3-4H2
InChIKeyADIUYGDLVBJEAG-UHFFFAOYSA-N
XLogP2.28
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.05
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-bromo-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanol 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 [5-bromo-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanol?
The IUPAC name of [5-bromo-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanol (CID 67509343) is [5-bromo-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanol.
What is the SMILES notation for [5-bromo-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanol?
The canonical SMILES for [5-bromo-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanol is OCc1cnc(OCC(F)(F)F)c(Br)c1.
What is the InChIKey of [5-bromo-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanol?
The InChIKey is ADIUYGDLVBJEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF3NO2/c9-6-1-5(3-14)2-13-7(6)15-4-8(10,11)12/h1-2,14H,3-4H2.
What are the key properties of [5-bromo-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanol?
[5-bromo-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanol has a molecular weight of 286.05 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanol is sourced from PubChem (CID 67509343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).