6-(2,2,2-trifluoroethoxy)pyridin-3-amine

C7H7F3N2O — CID 543156

IUPAC6-(2,2,2-trifluoroethoxy)pyridin-3-amine
SMILESNc1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)4-13-6-2-1-5(11)3-12-6/h1-3H,4,11H2
InChIKeyOJCXGRPKFISGAZ-UHFFFAOYSA-N
MW192.14 g/mol
LogP1.60
Rot. Bonds2

About 6-(2,2,2-trifluoroethoxy)pyridin-3-amine

6-(2,2,2-trifluoroethoxy)pyridin-3-amine (PubChem CID 543156) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol. Its IUPAC name is 6-(2,2,2-trifluoroethoxy)pyridin-3-amine.

Molecular Properties

Compound Name6-(2,2,2-trifluoroethoxy)pyridin-3-amine
PubChem CID543156
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name6-(2,2,2-trifluoroethoxy)pyridin-3-amine
SMILESNc1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)4-13-6-2-1-5(11)3-12-6/h1-3H,4,11H2
InChIKeyOJCXGRPKFISGAZ-UHFFFAOYSA-N
XLogP1.60
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The IUPAC name of 6-(2,2,2-trifluoroethoxy)pyridin-3-amine (CID 543156) is 6-(2,2,2-trifluoroethoxy)pyridin-3-amine.
What is the SMILES notation for 6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The canonical SMILES for 6-(2,2,2-trifluoroethoxy)pyridin-3-amine is Nc1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of 6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The InChIKey is OJCXGRPKFISGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O/c8-7(9,10)4-13-6-2-1-5(11)3-12-6/h1-3H,4,11H2.
What are the key properties of 6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
6-(2,2,2-trifluoroethoxy)pyridin-3-amine has a molecular weight of 192.14 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2,2-trifluoroethoxy)pyridin-3-amine is sourced from PubChem (CID 543156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).