2-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]-5-methylphenol

C13H12F3N3O — CID 28847081

IUPAC2-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]-5-methylphenol
SMILESCc1ccc(Nc2cc(C(F)(F)F)cnc2N)c(O)c1
InChIInChI=1S/C13H12F3N3O/c1-7-2-3-9(11(20)4-7)19-10-5-8(13(14,15)16)6-18-12(10)17/h2-6,19-20H,1H3,(H2,17,18)
InChIKeyPZXHXDDQWLLZEH-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.44
Rot. Bonds2

About 2-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]-5-methylphenol

2-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]-5-methylphenol (PubChem CID 28847081) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is 2-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]-5-methylphenol.

Molecular Properties

Compound Name2-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]-5-methylphenol
PubChem CID28847081
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name2-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]-5-methylphenol
SMILESCc1ccc(Nc2cc(C(F)(F)F)cnc2N)c(O)c1
InChIInChI=1S/C13H12F3N3O/c1-7-2-3-9(11(20)4-7)19-10-5-8(13(14,15)16)6-18-12(10)17/h2-6,19-20H,1H3,(H2,17,18)
InChIKeyPZXHXDDQWLLZEH-UHFFFAOYSA-N
XLogP3.44
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 2-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]-5-methylphenol 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-amino-5-(trifluoromethyl)-3-pyridinyl]amino]-5-methylphenol?
The IUPAC name of 2-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]-5-methylphenol (CID 28847081) is 2-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]-5-methylphenol.
What is the SMILES notation for 2-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]-5-methylphenol?
The canonical SMILES for 2-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]-5-methylphenol is Cc1ccc(Nc2cc(C(F)(F)F)cnc2N)c(O)c1.
What is the InChIKey of 2-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]-5-methylphenol?
The InChIKey is PZXHXDDQWLLZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c1-7-2-3-9(11(20)4-7)19-10-5-8(13(14,15)16)6-18-12(10)17/h2-6,19-20H,1H3,(H2,17,18).
What are the key properties of 2-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]-5-methylphenol?
2-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]-5-methylphenol has a molecular weight of 283.25 g/mol, XLogP of 3.44, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]-5-methylphenol is sourced from PubChem (CID 28847081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).