4-N-(2-ethoxypropyl)-6-(trifluoromethyl)pyridine-3,4-diamine

C11H16F3N3O — CID 106748056

IUPAC4-N-(2-ethoxypropyl)-6-(trifluoromethyl)pyridine-3,4-diamine
SMILESCCOC(C)CNc1cc(C(F)(F)F)ncc1N
InChIInChI=1S/C11H16F3N3O/c1-3-18-7(2)5-16-9-4-10(11(12,13)14)17-6-8(9)15/h4,6-7H,3,5,15H2,1-2H3,(H,16,17)
InChIKeyWCHDQSQNPJZOTJ-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.52
Rot. Bonds5

About 4-N-(2-ethoxypropyl)-6-(trifluoromethyl)pyridine-3,4-diamine

4-N-(2-ethoxypropyl)-6-(trifluoromethyl)pyridine-3,4-diamine (PubChem CID 106748056) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 4-N-(2-ethoxypropyl)-6-(trifluoromethyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-(2-ethoxypropyl)-6-(trifluoromethyl)pyridine-3,4-diamine
PubChem CID106748056
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name4-N-(2-ethoxypropyl)-6-(trifluoromethyl)pyridine-3,4-diamine
SMILESCCOC(C)CNc1cc(C(F)(F)F)ncc1N
InChIInChI=1S/C11H16F3N3O/c1-3-18-7(2)5-16-9-4-10(11(12,13)14)17-6-8(9)15/h4,6-7H,3,5,15H2,1-2H3,(H,16,17)
InChIKeyWCHDQSQNPJZOTJ-UHFFFAOYSA-N
XLogP2.52
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethoxypropyl)-6-(trifluoromethyl)pyridine-3,4-diamine?
The IUPAC name of 4-N-(2-ethoxypropyl)-6-(trifluoromethyl)pyridine-3,4-diamine (CID 106748056) is 4-N-(2-ethoxypropyl)-6-(trifluoromethyl)pyridine-3,4-diamine.
What is the SMILES notation for 4-N-(2-ethoxypropyl)-6-(trifluoromethyl)pyridine-3,4-diamine?
The canonical SMILES for 4-N-(2-ethoxypropyl)-6-(trifluoromethyl)pyridine-3,4-diamine is CCOC(C)CNc1cc(C(F)(F)F)ncc1N.
What is the InChIKey of 4-N-(2-ethoxypropyl)-6-(trifluoromethyl)pyridine-3,4-diamine?
The InChIKey is WCHDQSQNPJZOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-3-18-7(2)5-16-9-4-10(11(12,13)14)17-6-8(9)15/h4,6-7H,3,5,15H2,1-2H3,(H,16,17).
What are the key properties of 4-N-(2-ethoxypropyl)-6-(trifluoromethyl)pyridine-3,4-diamine?
4-N-(2-ethoxypropyl)-6-(trifluoromethyl)pyridine-3,4-diamine has a molecular weight of 263.26 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethoxypropyl)-6-(trifluoromethyl)pyridine-3,4-diamine is sourced from PubChem (CID 106748056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).