N-(3-methoxycyclobutyl)-6-(trifluoromethyl)pyridin-3-amine

C11H13F3N2O — CID 106821586

IUPACN-(3-methoxycyclobutyl)-6-(trifluoromethyl)pyridin-3-amine
SMILESCOC1CC(Nc2ccc(C(F)(F)F)nc2)C1
InChIInChI=1S/C11H13F3N2O/c1-17-9-4-8(5-9)16-7-2-3-10(15-6-7)11(12,13)14/h2-3,6,8-9,16H,4-5H2,1H3
InChIKeyIUWXOKZALBCSFT-UHFFFAOYSA-N
MW246.23 g/mol
LogP2.69
Rot. Bonds3

About N-(3-methoxycyclobutyl)-6-(trifluoromethyl)pyridin-3-amine

N-(3-methoxycyclobutyl)-6-(trifluoromethyl)pyridin-3-amine (PubChem CID 106821586) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is N-(3-methoxycyclobutyl)-6-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound NameN-(3-methoxycyclobutyl)-6-(trifluoromethyl)pyridin-3-amine
PubChem CID106821586
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC NameN-(3-methoxycyclobutyl)-6-(trifluoromethyl)pyridin-3-amine
SMILESCOC1CC(Nc2ccc(C(F)(F)F)nc2)C1
InChIInChI=1S/C11H13F3N2O/c1-17-9-4-8(5-9)16-7-2-3-10(15-6-7)11(12,13)14/h2-3,6,8-9,16H,4-5H2,1H3
InChIKeyIUWXOKZALBCSFT-UHFFFAOYSA-N
XLogP2.69
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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-(3-methoxycyclobutyl)-6-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of N-(3-methoxycyclobutyl)-6-(trifluoromethyl)pyridin-3-amine (CID 106821586) is N-(3-methoxycyclobutyl)-6-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for N-(3-methoxycyclobutyl)-6-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for N-(3-methoxycyclobutyl)-6-(trifluoromethyl)pyridin-3-amine is COC1CC(Nc2ccc(C(F)(F)F)nc2)C1.
What is the InChIKey of N-(3-methoxycyclobutyl)-6-(trifluoromethyl)pyridin-3-amine?
The InChIKey is IUWXOKZALBCSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O/c1-17-9-4-8(5-9)16-7-2-3-10(15-6-7)11(12,13)14/h2-3,6,8-9,16H,4-5H2,1H3.
What are the key properties of N-(3-methoxycyclobutyl)-6-(trifluoromethyl)pyridin-3-amine?
N-(3-methoxycyclobutyl)-6-(trifluoromethyl)pyridin-3-amine has a molecular weight of 246.23 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxycyclobutyl)-6-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 106821586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).