5-methyl-6-(3,3,3-trifluoropropoxy)pyridin-3-amine

C9H11F3N2O — CID 82956348

IUPAC5-methyl-6-(3,3,3-trifluoropropoxy)pyridin-3-amine
SMILESCc1cc(N)cnc1OCCC(F)(F)F
InChIInChI=1S/C9H11F3N2O/c1-6-4-7(13)5-14-8(6)15-3-2-9(10,11)12/h4-5H,2-3,13H2,1H3
InChIKeyBJHUEOMDFKMOBX-UHFFFAOYSA-N
MW220.19 g/mol
LogP2.30
Rot. Bonds3

About 5-methyl-6-(3,3,3-trifluoropropoxy)pyridin-3-amine

5-methyl-6-(3,3,3-trifluoropropoxy)pyridin-3-amine (PubChem CID 82956348) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 5-methyl-6-(3,3,3-trifluoropropoxy)pyridin-3-amine.

Molecular Properties

Compound Name5-methyl-6-(3,3,3-trifluoropropoxy)pyridin-3-amine
PubChem CID82956348
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name5-methyl-6-(3,3,3-trifluoropropoxy)pyridin-3-amine
SMILESCc1cc(N)cnc1OCCC(F)(F)F
InChIInChI=1S/C9H11F3N2O/c1-6-4-7(13)5-14-8(6)15-3-2-9(10,11)12/h4-5H,2-3,13H2,1H3
InChIKeyBJHUEOMDFKMOBX-UHFFFAOYSA-N
XLogP2.30
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-methyl-6-(3,3,3-trifluoropropoxy)pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(3,3,3-trifluoropropoxy)pyridin-3-amine?
The IUPAC name of 5-methyl-6-(3,3,3-trifluoropropoxy)pyridin-3-amine (CID 82956348) is 5-methyl-6-(3,3,3-trifluoropropoxy)pyridin-3-amine.
What is the SMILES notation for 5-methyl-6-(3,3,3-trifluoropropoxy)pyridin-3-amine?
The canonical SMILES for 5-methyl-6-(3,3,3-trifluoropropoxy)pyridin-3-amine is Cc1cc(N)cnc1OCCC(F)(F)F.
What is the InChIKey of 5-methyl-6-(3,3,3-trifluoropropoxy)pyridin-3-amine?
The InChIKey is BJHUEOMDFKMOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c1-6-4-7(13)5-14-8(6)15-3-2-9(10,11)12/h4-5H,2-3,13H2,1H3.
What are the key properties of 5-methyl-6-(3,3,3-trifluoropropoxy)pyridin-3-amine?
5-methyl-6-(3,3,3-trifluoropropoxy)pyridin-3-amine has a molecular weight of 220.19 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(3,3,3-trifluoropropoxy)pyridin-3-amine is sourced from PubChem (CID 82956348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).