N-(2-methyloxolan-3-yl)-6-(trifluoromethyl)pyridin-3-amine

C11H13F3N2O — CID 82811236

IUPACN-(2-methyloxolan-3-yl)-6-(trifluoromethyl)pyridin-3-amine
SMILESCC1OCCC1Nc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C11H13F3N2O/c1-7-9(4-5-17-7)16-8-2-3-10(15-6-8)11(12,13)14/h2-3,6-7,9,16H,4-5H2,1H3
InChIKeyDYFQGGLYIYSNGV-UHFFFAOYSA-N
MW246.23 g/mol
LogP2.69
Rot. Bonds2

About N-(2-methyloxolan-3-yl)-6-(trifluoromethyl)pyridin-3-amine

N-(2-methyloxolan-3-yl)-6-(trifluoromethyl)pyridin-3-amine (PubChem CID 82811236) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is N-(2-methyloxolan-3-yl)-6-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound NameN-(2-methyloxolan-3-yl)-6-(trifluoromethyl)pyridin-3-amine
PubChem CID82811236
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC NameN-(2-methyloxolan-3-yl)-6-(trifluoromethyl)pyridin-3-amine
SMILESCC1OCCC1Nc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C11H13F3N2O/c1-7-9(4-5-17-7)16-8-2-3-10(15-6-8)11(12,13)14/h2-3,6-7,9,16H,4-5H2,1H3
InChIKeyDYFQGGLYIYSNGV-UHFFFAOYSA-N
XLogP2.69
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyloxolan-3-yl)-6-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of N-(2-methyloxolan-3-yl)-6-(trifluoromethyl)pyridin-3-amine (CID 82811236) is N-(2-methyloxolan-3-yl)-6-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for N-(2-methyloxolan-3-yl)-6-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for N-(2-methyloxolan-3-yl)-6-(trifluoromethyl)pyridin-3-amine is CC1OCCC1Nc1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-(2-methyloxolan-3-yl)-6-(trifluoromethyl)pyridin-3-amine?
The InChIKey is DYFQGGLYIYSNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O/c1-7-9(4-5-17-7)16-8-2-3-10(15-6-8)11(12,13)14/h2-3,6-7,9,16H,4-5H2,1H3.
What are the key properties of N-(2-methyloxolan-3-yl)-6-(trifluoromethyl)pyridin-3-amine?
N-(2-methyloxolan-3-yl)-6-(trifluoromethyl)pyridin-3-amine has a molecular weight of 246.23 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyloxolan-3-yl)-6-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 82811236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).