6-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]pyridin-3-amine

C10H12F3N3O — CID 121203411

IUPAC6-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]pyridin-3-amine
SMILESCOC1(C(F)(F)F)CN(c2ccc(N)cn2)C1
InChIInChI=1S/C10H12F3N3O/c1-17-9(10(11,12)13)5-16(6-9)8-3-2-7(14)4-15-8/h2-4H,5-6,14H2,1H3
InChIKeyOIRLRNJQULIGMF-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.43
Rot. Bonds2

About 6-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]pyridin-3-amine

6-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]pyridin-3-amine (PubChem CID 121203411) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is 6-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]pyridin-3-amine.

Molecular Properties

Compound Name6-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]pyridin-3-amine
PubChem CID121203411
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name6-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]pyridin-3-amine
SMILESCOC1(C(F)(F)F)CN(c2ccc(N)cn2)C1
InChIInChI=1S/C10H12F3N3O/c1-17-9(10(11,12)13)5-16(6-9)8-3-2-7(14)4-15-8/h2-4H,5-6,14H2,1H3
InChIKeyOIRLRNJQULIGMF-UHFFFAOYSA-N
XLogP1.43
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]pyridin-3-amine?
The IUPAC name of 6-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]pyridin-3-amine (CID 121203411) is 6-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]pyridin-3-amine.
What is the SMILES notation for 6-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]pyridin-3-amine?
The canonical SMILES for 6-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]pyridin-3-amine is COC1(C(F)(F)F)CN(c2ccc(N)cn2)C1.
What is the InChIKey of 6-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]pyridin-3-amine?
The InChIKey is OIRLRNJQULIGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c1-17-9(10(11,12)13)5-16(6-9)8-3-2-7(14)4-15-8/h2-4H,5-6,14H2,1H3.
What are the key properties of 6-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]pyridin-3-amine?
6-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]pyridin-3-amine has a molecular weight of 247.22 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]pyridin-3-amine is sourced from PubChem (CID 121203411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).