2-(oxan-4-yloxy)-6-(trifluoromethyl)pyridin-3-amine

C11H13F3N2O2 — CID 67217971

IUPAC2-(oxan-4-yloxy)-6-(trifluoromethyl)pyridin-3-amine
SMILESNc1ccc(C(F)(F)F)nc1OC1CCOCC1
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)9-2-1-8(15)10(16-9)18-7-3-5-17-6-4-7/h1-2,7H,3-6,15H2
InChIKeyLODQXXSAMYAHCS-UHFFFAOYSA-N
MW262.23 g/mol
LogP2.24
Rot. Bonds2

About 2-(oxan-4-yloxy)-6-(trifluoromethyl)pyridin-3-amine

2-(oxan-4-yloxy)-6-(trifluoromethyl)pyridin-3-amine (PubChem CID 67217971) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 2-(oxan-4-yloxy)-6-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound Name2-(oxan-4-yloxy)-6-(trifluoromethyl)pyridin-3-amine
PubChem CID67217971
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name2-(oxan-4-yloxy)-6-(trifluoromethyl)pyridin-3-amine
SMILESNc1ccc(C(F)(F)F)nc1OC1CCOCC1
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)9-2-1-8(15)10(16-9)18-7-3-5-17-6-4-7/h1-2,7H,3-6,15H2
InChIKeyLODQXXSAMYAHCS-UHFFFAOYSA-N
XLogP2.24
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yloxy)-6-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of 2-(oxan-4-yloxy)-6-(trifluoromethyl)pyridin-3-amine (CID 67217971) is 2-(oxan-4-yloxy)-6-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for 2-(oxan-4-yloxy)-6-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for 2-(oxan-4-yloxy)-6-(trifluoromethyl)pyridin-3-amine is Nc1ccc(C(F)(F)F)nc1OC1CCOCC1.
What is the InChIKey of 2-(oxan-4-yloxy)-6-(trifluoromethyl)pyridin-3-amine?
The InChIKey is LODQXXSAMYAHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c12-11(13,14)9-2-1-8(15)10(16-9)18-7-3-5-17-6-4-7/h1-2,7H,3-6,15H2.
What are the key properties of 2-(oxan-4-yloxy)-6-(trifluoromethyl)pyridin-3-amine?
2-(oxan-4-yloxy)-6-(trifluoromethyl)pyridin-3-amine has a molecular weight of 262.23 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yloxy)-6-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 67217971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).