N-(3-ethoxy-2-pyridinyl)-6-(trifluoromethyl)pyridin-2-amine

C13H12F3N3O — CID 11231404

IUPACN-(3-ethoxy-2-pyridinyl)-6-(trifluoromethyl)pyridin-2-amine
SMILESCCOc1cccnc1Nc1cccc(C(F)(F)F)n1
InChIInChI=1S/C13H12F3N3O/c1-2-20-9-5-4-8-17-12(9)19-11-7-3-6-10(18-11)13(14,15)16/h3-8H,2H2,1H3,(H,17,18,19)
InChIKeyMDYAJCYWMZKJFX-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.64
Rot. Bonds4

About N-(3-ethoxy-2-pyridinyl)-6-(trifluoromethyl)pyridin-2-amine

N-(3-ethoxy-2-pyridinyl)-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 11231404) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is N-(3-ethoxy-2-pyridinyl)-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(3-ethoxy-2-pyridinyl)-6-(trifluoromethyl)pyridin-2-amine
PubChem CID11231404
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC NameN-(3-ethoxy-2-pyridinyl)-6-(trifluoromethyl)pyridin-2-amine
SMILESCCOc1cccnc1Nc1cccc(C(F)(F)F)n1
InChIInChI=1S/C13H12F3N3O/c1-2-20-9-5-4-8-17-12(9)19-11-7-3-6-10(18-11)13(14,15)16/h3-8H,2H2,1H3,(H,17,18,19)
InChIKeyMDYAJCYWMZKJFX-UHFFFAOYSA-N
XLogP3.64
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-ethoxy-2-pyridinyl)-6-(trifluoromethyl)pyridin-2-amine 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 N-(3-ethoxy-2-pyridinyl)-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(3-ethoxy-2-pyridinyl)-6-(trifluoromethyl)pyridin-2-amine (CID 11231404) is N-(3-ethoxy-2-pyridinyl)-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(3-ethoxy-2-pyridinyl)-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(3-ethoxy-2-pyridinyl)-6-(trifluoromethyl)pyridin-2-amine is CCOc1cccnc1Nc1cccc(C(F)(F)F)n1.
What is the InChIKey of N-(3-ethoxy-2-pyridinyl)-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is MDYAJCYWMZKJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c1-2-20-9-5-4-8-17-12(9)19-11-7-3-6-10(18-11)13(14,15)16/h3-8H,2H2,1H3,(H,17,18,19).
What are the key properties of N-(3-ethoxy-2-pyridinyl)-6-(trifluoromethyl)pyridin-2-amine?
N-(3-ethoxy-2-pyridinyl)-6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 283.25 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-2-pyridinyl)-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 11231404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).