6-[[2-(methylamino)-6-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carbonitrile

C15H12F3N3O2 — CID 144784659

IUPAC6-[[2-(methylamino)-6-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carbonitrile
SMILESCNc1cccc(OC(F)(F)F)c1COc1cccc(C#N)n1
InChIInChI=1S/C15H12F3N3O2/c1-20-12-5-3-6-13(23-15(16,17)18)11(12)9-22-14-7-2-4-10(8-19)21-14/h2-7,20H,9H2,1H3
InChIKeyFZTYEERDTCOLME-UHFFFAOYSA-N
MW323.27 g/mol
LogP3.47
Rot. Bonds5

About 6-[[2-(methylamino)-6-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carbonitrile

6-[[2-(methylamino)-6-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carbonitrile (PubChem CID 144784659) has the molecular formula C15H12F3N3O2 and a molecular weight of 323.27 g/mol. Its IUPAC name is 6-[[2-(methylamino)-6-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[[2-(methylamino)-6-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carbonitrile
PubChem CID144784659
Molecular FormulaC15H12F3N3O2
Molecular Weight323.27 g/mol
Exact Mass323.09
IUPAC Name6-[[2-(methylamino)-6-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carbonitrile
SMILESCNc1cccc(OC(F)(F)F)c1COc1cccc(C#N)n1
InChIInChI=1S/C15H12F3N3O2/c1-20-12-5-3-6-13(23-15(16,17)18)11(12)9-22-14-7-2-4-10(8-19)21-14/h2-7,20H,9H2,1H3
InChIKeyFZTYEERDTCOLME-UHFFFAOYSA-N
XLogP3.47
TPSA67.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[[2-(methylamino)-6-(trifluoromethoxy)phenyl]methoxy]pyridine-2-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 6-[[2-(methylamino)-6-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carbonitrile?
The IUPAC name of 6-[[2-(methylamino)-6-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carbonitrile (CID 144784659) is 6-[[2-(methylamino)-6-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[[2-(methylamino)-6-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carbonitrile?
The canonical SMILES for 6-[[2-(methylamino)-6-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carbonitrile is CNc1cccc(OC(F)(F)F)c1COc1cccc(C#N)n1.
What is the InChIKey of 6-[[2-(methylamino)-6-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carbonitrile?
The InChIKey is FZTYEERDTCOLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O2/c1-20-12-5-3-6-13(23-15(16,17)18)11(12)9-22-14-7-2-4-10(8-19)21-14/h2-7,20H,9H2,1H3.
What are the key properties of 6-[[2-(methylamino)-6-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carbonitrile?
6-[[2-(methylamino)-6-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carbonitrile has a molecular weight of 323.27 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(methylamino)-6-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carbonitrile is sourced from PubChem (CID 144784659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).