[3-amino-4-(trifluoromethoxy)-2-pyridinyl]methanol

C7H7F3N2O2 — CID 130089217

IUPAC[3-amino-4-(trifluoromethoxy)-2-pyridinyl]methanol
SMILESNc1c(OC(F)(F)F)ccnc1CO
InChIInChI=1S/C7H7F3N2O2/c8-7(9,10)14-5-1-2-12-4(3-13)6(5)11/h1-2,13H,3,11H2
InChIKeyUBNIPZWZHSSCAH-UHFFFAOYSA-N
MW208.14 g/mol
LogP1.05
Rot. Bonds2

About [3-amino-4-(trifluoromethoxy)-2-pyridinyl]methanol

[3-amino-4-(trifluoromethoxy)-2-pyridinyl]methanol (PubChem CID 130089217) has the molecular formula C7H7F3N2O2 and a molecular weight of 208.14 g/mol. Its IUPAC name is [3-amino-4-(trifluoromethoxy)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-amino-4-(trifluoromethoxy)-2-pyridinyl]methanol
PubChem CID130089217
Molecular FormulaC7H7F3N2O2
Molecular Weight208.14 g/mol
Exact Mass208.05
IUPAC Name[3-amino-4-(trifluoromethoxy)-2-pyridinyl]methanol
SMILESNc1c(OC(F)(F)F)ccnc1CO
InChIInChI=1S/C7H7F3N2O2/c8-7(9,10)14-5-1-2-12-4(3-13)6(5)11/h1-2,13H,3,11H2
InChIKeyUBNIPZWZHSSCAH-UHFFFAOYSA-N
XLogP1.05
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [3-amino-4-(trifluoromethoxy)-2-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 [3-amino-4-(trifluoromethoxy)-2-pyridinyl]methanol?
The IUPAC name of [3-amino-4-(trifluoromethoxy)-2-pyridinyl]methanol (CID 130089217) is [3-amino-4-(trifluoromethoxy)-2-pyridinyl]methanol.
What is the SMILES notation for [3-amino-4-(trifluoromethoxy)-2-pyridinyl]methanol?
The canonical SMILES for [3-amino-4-(trifluoromethoxy)-2-pyridinyl]methanol is Nc1c(OC(F)(F)F)ccnc1CO.
What is the InChIKey of [3-amino-4-(trifluoromethoxy)-2-pyridinyl]methanol?
The InChIKey is UBNIPZWZHSSCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2/c8-7(9,10)14-5-1-2-12-4(3-13)6(5)11/h1-2,13H,3,11H2.
What are the key properties of [3-amino-4-(trifluoromethoxy)-2-pyridinyl]methanol?
[3-amino-4-(trifluoromethoxy)-2-pyridinyl]methanol has a molecular weight of 208.14 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-4-(trifluoromethoxy)-2-pyridinyl]methanol is sourced from PubChem (CID 130089217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).