3-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2,4-diamine

C9H12F3N3O — CID 118036381

IUPAC3-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2,4-diamine
SMILESCOCCc1c(N)ncc(C(F)(F)F)c1N
InChIInChI=1S/C9H12F3N3O/c1-16-3-2-5-7(13)6(9(10,11)12)4-15-8(5)14/h4H,2-3H2,1H3,(H4,13,14,15)
InChIKeyFNUGOBVUYVJSSK-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.45
Rot. Bonds3

About 3-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2,4-diamine

3-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2,4-diamine (PubChem CID 118036381) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2,4-diamine.

Molecular Properties

Compound Name3-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2,4-diamine
PubChem CID118036381
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name3-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2,4-diamine
SMILESCOCCc1c(N)ncc(C(F)(F)F)c1N
InChIInChI=1S/C9H12F3N3O/c1-16-3-2-5-7(13)6(9(10,11)12)4-15-8(5)14/h4H,2-3H2,1H3,(H4,13,14,15)
InChIKeyFNUGOBVUYVJSSK-UHFFFAOYSA-N
XLogP1.45
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2,4-diamine 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-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2,4-diamine?
The IUPAC name of 3-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2,4-diamine (CID 118036381) is 3-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2,4-diamine.
What is the SMILES notation for 3-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2,4-diamine?
The canonical SMILES for 3-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2,4-diamine is COCCc1c(N)ncc(C(F)(F)F)c1N.
What is the InChIKey of 3-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2,4-diamine?
The InChIKey is FNUGOBVUYVJSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-16-3-2-5-7(13)6(9(10,11)12)4-15-8(5)14/h4H,2-3H2,1H3,(H4,13,14,15).
What are the key properties of 3-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2,4-diamine?
3-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2,4-diamine has a molecular weight of 235.21 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2,4-diamine is sourced from PubChem (CID 118036381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).