5-(oxan-4-yl)-3-(trifluoromethyl)pyridin-2-amine

C11H13F3N2O — CID 171390475

IUPAC5-(oxan-4-yl)-3-(trifluoromethyl)pyridin-2-amine
SMILESNc1ncc(C2CCOCC2)cc1C(F)(F)F
InChIInChI=1S/C11H13F3N2O/c12-11(13,14)9-5-8(6-16-10(9)15)7-1-3-17-4-2-7/h5-7H,1-4H2,(H2,15,16)
InChIKeyONCCJBHMDXCRBX-UHFFFAOYSA-N
MW246.23 g/mol
LogP2.58
Rot. Bonds1

About 5-(oxan-4-yl)-3-(trifluoromethyl)pyridin-2-amine

5-(oxan-4-yl)-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 171390475) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is 5-(oxan-4-yl)-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(oxan-4-yl)-3-(trifluoromethyl)pyridin-2-amine
PubChem CID171390475
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC Name5-(oxan-4-yl)-3-(trifluoromethyl)pyridin-2-amine
SMILESNc1ncc(C2CCOCC2)cc1C(F)(F)F
InChIInChI=1S/C11H13F3N2O/c12-11(13,14)9-5-8(6-16-10(9)15)7-1-3-17-4-2-7/h5-7H,1-4H2,(H2,15,16)
InChIKeyONCCJBHMDXCRBX-UHFFFAOYSA-N
XLogP2.58
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(oxan-4-yl)-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-(oxan-4-yl)-3-(trifluoromethyl)pyridin-2-amine (CID 171390475) is 5-(oxan-4-yl)-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-(oxan-4-yl)-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-(oxan-4-yl)-3-(trifluoromethyl)pyridin-2-amine is Nc1ncc(C2CCOCC2)cc1C(F)(F)F.
What is the InChIKey of 5-(oxan-4-yl)-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is ONCCJBHMDXCRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O/c12-11(13,14)9-5-8(6-16-10(9)15)7-1-3-17-4-2-7/h5-7H,1-4H2,(H2,15,16).
What are the key properties of 5-(oxan-4-yl)-3-(trifluoromethyl)pyridin-2-amine?
5-(oxan-4-yl)-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 246.23 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-4-yl)-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 171390475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).