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

C15H13F2N3O — CID 144783847

IUPAC6-[[2-(difluoromethyl)-6-(methylamino)phenyl]methoxy]pyridine-2-carbonitrile
SMILESCNc1cccc(C(F)F)c1COc1cccc(C#N)n1
InChIInChI=1S/C15H13F2N3O/c1-19-13-6-3-5-11(15(16)17)12(13)9-21-14-7-2-4-10(8-18)20-14/h2-7,15,19H,9H2,1H3
InChIKeyJQVWSBLBMHWHEU-UHFFFAOYSA-N
MW289.29 g/mol
LogP3.51
Rot. Bonds5

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

6-[[2-(difluoromethyl)-6-(methylamino)phenyl]methoxy]pyridine-2-carbonitrile (PubChem CID 144783847) has the molecular formula C15H13F2N3O and a molecular weight of 289.29 g/mol. Its IUPAC name is 6-[[2-(difluoromethyl)-6-(methylamino)phenyl]methoxy]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[[2-(difluoromethyl)-6-(methylamino)phenyl]methoxy]pyridine-2-carbonitrile
PubChem CID144783847
Molecular FormulaC15H13F2N3O
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name6-[[2-(difluoromethyl)-6-(methylamino)phenyl]methoxy]pyridine-2-carbonitrile
SMILESCNc1cccc(C(F)F)c1COc1cccc(C#N)n1
InChIInChI=1S/C15H13F2N3O/c1-19-13-6-3-5-11(15(16)17)12(13)9-21-14-7-2-4-10(8-18)20-14/h2-7,15,19H,9H2,1H3
InChIKeyJQVWSBLBMHWHEU-UHFFFAOYSA-N
XLogP3.51
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(difluoromethyl)-6-(methylamino)phenyl]methoxy]pyridine-2-carbonitrile?
The IUPAC name of 6-[[2-(difluoromethyl)-6-(methylamino)phenyl]methoxy]pyridine-2-carbonitrile (CID 144783847) is 6-[[2-(difluoromethyl)-6-(methylamino)phenyl]methoxy]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[[2-(difluoromethyl)-6-(methylamino)phenyl]methoxy]pyridine-2-carbonitrile?
The canonical SMILES for 6-[[2-(difluoromethyl)-6-(methylamino)phenyl]methoxy]pyridine-2-carbonitrile is CNc1cccc(C(F)F)c1COc1cccc(C#N)n1.
What is the InChIKey of 6-[[2-(difluoromethyl)-6-(methylamino)phenyl]methoxy]pyridine-2-carbonitrile?
The InChIKey is JQVWSBLBMHWHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3O/c1-19-13-6-3-5-11(15(16)17)12(13)9-21-14-7-2-4-10(8-18)20-14/h2-7,15,19H,9H2,1H3.
What are the key properties of 6-[[2-(difluoromethyl)-6-(methylamino)phenyl]methoxy]pyridine-2-carbonitrile?
6-[[2-(difluoromethyl)-6-(methylamino)phenyl]methoxy]pyridine-2-carbonitrile has a molecular weight of 289.29 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(difluoromethyl)-6-(methylamino)phenyl]methoxy]pyridine-2-carbonitrile is sourced from PubChem (CID 144783847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).