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

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Related Compounds

6-[[2-(difluoromethyl)-6-(methylamino)phenyl]methoxy]pyridine-2-carbonitrile
CID 144783847
N-methyl-2-[(6-propan-2-yl-2-pyridinyl)oxymethyl]-3-(trifluoromethoxy)aniline
CID 144784376
6-[[2-cyclopropyl-6-(methylamino)phenyl]methoxy]pyridine-2-carbonitrile;formohydrazide
CID 144783976
2-[(6-methyl-2-pyridinyl)oxymethyl]-3-(trifluoromethoxy)aniline
CID 144784348
3-(difluoromethyl)-2-[(6-fluoro-2-pyridinyl)oxymethyl]-N-methylaniline
CID 144784650
6-[[2-(difluoromethoxy)phenyl]methoxy]pyridine-2-carbonitrile
CID 139724969
2-[(4-chloro-3-pyridinyl)oxymethyl]-N-methyl-3-(trifluoromethoxy)aniline;formohydrazide
CID 144784338
6-(furan-2-ylmethoxy)pyridine-2-carbonitrile
CID 64594356
6-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carbonitrile
CID 64594578
2-[2-ethyl-3-(trifluoromethoxy)phenyl]acetonitrile
CID 170999109
6-[3-(dimethylamino)propoxy]pyridine-2-carbonitrile
CID 64593617
6-[2-(dimethylamino)-2-methylpropoxy]pyridine-2-carbonitrile
CID 79679476

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).