2-(2-methoxyethoxy)-6-(trifluoromethyl)pyridin-4-amine

C9H11F3N2O2 — CID 145361055

IUPAC2-(2-methoxyethoxy)-6-(trifluoromethyl)pyridin-4-amine
SMILESCOCCOc1cc(N)cc(C(F)(F)F)n1
InChIInChI=1S/C9H11F3N2O2/c1-15-2-3-16-8-5-6(13)4-7(14-8)9(10,11)12/h4-5H,2-3H2,1H3,(H2,13,14)
InChIKeyHVIVZVGBNVTTTQ-UHFFFAOYSA-N
MW236.19 g/mol
LogP1.71
Rot. Bonds4

About 2-(2-methoxyethoxy)-6-(trifluoromethyl)pyridin-4-amine

2-(2-methoxyethoxy)-6-(trifluoromethyl)pyridin-4-amine (PubChem CID 145361055) has the molecular formula C9H11F3N2O2 and a molecular weight of 236.19 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-6-(trifluoromethyl)pyridin-4-amine.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-6-(trifluoromethyl)pyridin-4-amine
PubChem CID145361055
Molecular FormulaC9H11F3N2O2
Molecular Weight236.19 g/mol
Exact Mass236.08
IUPAC Name2-(2-methoxyethoxy)-6-(trifluoromethyl)pyridin-4-amine
SMILESCOCCOc1cc(N)cc(C(F)(F)F)n1
InChIInChI=1S/C9H11F3N2O2/c1-15-2-3-16-8-5-6(13)4-7(14-8)9(10,11)12/h4-5H,2-3H2,1H3,(H2,13,14)
InChIKeyHVIVZVGBNVTTTQ-UHFFFAOYSA-N
XLogP1.71
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(trifluoromethyl)pyridin-4-amine?
The IUPAC name of 2-(2-methoxyethoxy)-6-(trifluoromethyl)pyridin-4-amine (CID 145361055) is 2-(2-methoxyethoxy)-6-(trifluoromethyl)pyridin-4-amine.
What is the SMILES notation for 2-(2-methoxyethoxy)-6-(trifluoromethyl)pyridin-4-amine?
The canonical SMILES for 2-(2-methoxyethoxy)-6-(trifluoromethyl)pyridin-4-amine is COCCOc1cc(N)cc(C(F)(F)F)n1.
What is the InChIKey of 2-(2-methoxyethoxy)-6-(trifluoromethyl)pyridin-4-amine?
The InChIKey is HVIVZVGBNVTTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2/c1-15-2-3-16-8-5-6(13)4-7(14-8)9(10,11)12/h4-5H,2-3H2,1H3,(H2,13,14).
What are the key properties of 2-(2-methoxyethoxy)-6-(trifluoromethyl)pyridin-4-amine?
2-(2-methoxyethoxy)-6-(trifluoromethyl)pyridin-4-amine has a molecular weight of 236.19 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-6-(trifluoromethyl)pyridin-4-amine is sourced from PubChem (CID 145361055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).