2-[[3-(hydroxymethyl)oxetan-3-yl]methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile

C12H12F3N3O2 — CID 133399139

IUPAC2-[[3-(hydroxymethyl)oxetan-3-yl]methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1NCC1(CO)COC1
InChIInChI=1S/C12H12F3N3O2/c13-12(14,15)9-2-1-8(3-16)10(18-9)17-4-11(5-19)6-20-7-11/h1-2,19H,4-7H2,(H,17,18)
InChIKeyFRYZONSMZBVHCF-UHFFFAOYSA-N
MW287.24 g/mol
LogP1.39
Rot. Bonds4

About 2-[[3-(hydroxymethyl)oxetan-3-yl]methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile

2-[[3-(hydroxymethyl)oxetan-3-yl]methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 133399139) has the molecular formula C12H12F3N3O2 and a molecular weight of 287.24 g/mol. Its IUPAC name is 2-[[3-(hydroxymethyl)oxetan-3-yl]methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[3-(hydroxymethyl)oxetan-3-yl]methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID133399139
Molecular FormulaC12H12F3N3O2
Molecular Weight287.24 g/mol
Exact Mass287.09
IUPAC Name2-[[3-(hydroxymethyl)oxetan-3-yl]methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1NCC1(CO)COC1
InChIInChI=1S/C12H12F3N3O2/c13-12(14,15)9-2-1-8(3-16)10(18-9)17-4-11(5-19)6-20-7-11/h1-2,19H,4-7H2,(H,17,18)
InChIKeyFRYZONSMZBVHCF-UHFFFAOYSA-N
XLogP1.39
TPSA78.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[3-(hydroxymethyl)oxetan-3-yl]methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile 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 2-[[3-(hydroxymethyl)oxetan-3-yl]methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-[[3-(hydroxymethyl)oxetan-3-yl]methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 133399139) is 2-[[3-(hydroxymethyl)oxetan-3-yl]methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[3-(hydroxymethyl)oxetan-3-yl]methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-[[3-(hydroxymethyl)oxetan-3-yl]methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1ccc(C(F)(F)F)nc1NCC1(CO)COC1.
What is the InChIKey of 2-[[3-(hydroxymethyl)oxetan-3-yl]methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is FRYZONSMZBVHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O2/c13-12(14,15)9-2-1-8(3-16)10(18-9)17-4-11(5-19)6-20-7-11/h1-2,19H,4-7H2,(H,17,18).
What are the key properties of 2-[[3-(hydroxymethyl)oxetan-3-yl]methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-[[3-(hydroxymethyl)oxetan-3-yl]methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 287.24 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(hydroxymethyl)oxetan-3-yl]methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 133399139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).