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

C8H9F3N2O — CID 79176734

IUPAC4-methyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
SMILESCc1cc(OCC(F)(F)F)ncc1N
InChIInChI=1S/C8H9F3N2O/c1-5-2-7(13-3-6(5)12)14-4-8(9,10)11/h2-3H,4,12H2,1H3
InChIKeyAUXYCZOEXBDFHR-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.91
Rot. Bonds2

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

4-methyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine (PubChem CID 79176734) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 4-methyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine.

Molecular Properties

Compound Name4-methyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
PubChem CID79176734
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name4-methyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
SMILESCc1cc(OCC(F)(F)F)ncc1N
InChIInChI=1S/C8H9F3N2O/c1-5-2-7(13-3-6(5)12)14-4-8(9,10)11/h2-3H,4,12H2,1H3
InChIKeyAUXYCZOEXBDFHR-UHFFFAOYSA-N
XLogP1.91
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The IUPAC name of 4-methyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine (CID 79176734) is 4-methyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine.
What is the SMILES notation for 4-methyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The canonical SMILES for 4-methyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine is Cc1cc(OCC(F)(F)F)ncc1N.
What is the InChIKey of 4-methyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The InChIKey is AUXYCZOEXBDFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c1-5-2-7(13-3-6(5)12)14-4-8(9,10)11/h2-3H,4,12H2,1H3.
What are the key properties of 4-methyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
4-methyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine has a molecular weight of 206.17 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine is sourced from PubChem (CID 79176734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).