2-(2-methoxyethoxy)-6-methyl-4-(2,2,2-trifluoroethoxy)pyridin-3-amine

C11H15F3N2O3 — CID 23110956

IUPAC2-(2-methoxyethoxy)-6-methyl-4-(2,2,2-trifluoroethoxy)pyridin-3-amine
SMILESCOCCOc1nc(C)cc(OCC(F)(F)F)c1N
InChIInChI=1S/C11H15F3N2O3/c1-7-5-8(19-6-11(12,13)14)9(15)10(16-7)18-4-3-17-2/h5H,3-4,6,15H2,1-2H3
InChIKeyRZXFZTNDFXLFSZ-UHFFFAOYSA-N
MW280.25 g/mol
LogP1.94
Rot. Bonds6

About 2-(2-methoxyethoxy)-6-methyl-4-(2,2,2-trifluoroethoxy)pyridin-3-amine

2-(2-methoxyethoxy)-6-methyl-4-(2,2,2-trifluoroethoxy)pyridin-3-amine (PubChem CID 23110956) has the molecular formula C11H15F3N2O3 and a molecular weight of 280.25 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-6-methyl-4-(2,2,2-trifluoroethoxy)pyridin-3-amine.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-6-methyl-4-(2,2,2-trifluoroethoxy)pyridin-3-amine
PubChem CID23110956
Molecular FormulaC11H15F3N2O3
Molecular Weight280.25 g/mol
Exact Mass280.10
IUPAC Name2-(2-methoxyethoxy)-6-methyl-4-(2,2,2-trifluoroethoxy)pyridin-3-amine
SMILESCOCCOc1nc(C)cc(OCC(F)(F)F)c1N
InChIInChI=1S/C11H15F3N2O3/c1-7-5-8(19-6-11(12,13)14)9(15)10(16-7)18-4-3-17-2/h5H,3-4,6,15H2,1-2H3
InChIKeyRZXFZTNDFXLFSZ-UHFFFAOYSA-N
XLogP1.94
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-6-methyl-4-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The IUPAC name of 2-(2-methoxyethoxy)-6-methyl-4-(2,2,2-trifluoroethoxy)pyridin-3-amine (CID 23110956) is 2-(2-methoxyethoxy)-6-methyl-4-(2,2,2-trifluoroethoxy)pyridin-3-amine.
What is the SMILES notation for 2-(2-methoxyethoxy)-6-methyl-4-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The canonical SMILES for 2-(2-methoxyethoxy)-6-methyl-4-(2,2,2-trifluoroethoxy)pyridin-3-amine is COCCOc1nc(C)cc(OCC(F)(F)F)c1N.
What is the InChIKey of 2-(2-methoxyethoxy)-6-methyl-4-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The InChIKey is RZXFZTNDFXLFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O3/c1-7-5-8(19-6-11(12,13)14)9(15)10(16-7)18-4-3-17-2/h5H,3-4,6,15H2,1-2H3.
What are the key properties of 2-(2-methoxyethoxy)-6-methyl-4-(2,2,2-trifluoroethoxy)pyridin-3-amine?
2-(2-methoxyethoxy)-6-methyl-4-(2,2,2-trifluoroethoxy)pyridin-3-amine has a molecular weight of 280.25 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-6-methyl-4-(2,2,2-trifluoroethoxy)pyridin-3-amine is sourced from PubChem (CID 23110956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).