4-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]-methylamino]phenol

C13H12F3N3O — CID 28818286

IUPAC4-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]-methylamino]phenol
SMILESCN(c1ccc(O)cc1)c1cc(C(F)(F)F)cnc1N
InChIInChI=1S/C13H12F3N3O/c1-19(9-2-4-10(20)5-3-9)11-6-8(13(14,15)16)7-18-12(11)17/h2-7,20H,1H3,(H2,17,18)
InChIKeyFSJSXHHNNGDDJA-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.16
Rot. Bonds2

About 4-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]-methylamino]phenol

4-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]-methylamino]phenol (PubChem CID 28818286) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is 4-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]-methylamino]phenol.

Molecular Properties

Compound Name4-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]-methylamino]phenol
PubChem CID28818286
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name4-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]-methylamino]phenol
SMILESCN(c1ccc(O)cc1)c1cc(C(F)(F)F)cnc1N
InChIInChI=1S/C13H12F3N3O/c1-19(9-2-4-10(20)5-3-9)11-6-8(13(14,15)16)7-18-12(11)17/h2-7,20H,1H3,(H2,17,18)
InChIKeyFSJSXHHNNGDDJA-UHFFFAOYSA-N
XLogP3.16
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]-methylamino]phenol 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 4-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]-methylamino]phenol?
The IUPAC name of 4-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]-methylamino]phenol (CID 28818286) is 4-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]-methylamino]phenol.
What is the SMILES notation for 4-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]-methylamino]phenol?
The canonical SMILES for 4-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]-methylamino]phenol is CN(c1ccc(O)cc1)c1cc(C(F)(F)F)cnc1N.
What is the InChIKey of 4-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]-methylamino]phenol?
The InChIKey is FSJSXHHNNGDDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c1-19(9-2-4-10(20)5-3-9)11-6-8(13(14,15)16)7-18-12(11)17/h2-7,20H,1H3,(H2,17,18).
What are the key properties of 4-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]-methylamino]phenol?
4-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]-methylamino]phenol has a molecular weight of 283.25 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]-methylamino]phenol is sourced from PubChem (CID 28818286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).