6-(2,2-difluoroethoxy)pyridine-2-carbonitrile

C8H6F2N2O — CID 71757473

IUPAC6-(2,2-difluoroethoxy)pyridine-2-carbonitrile
SMILESN#Cc1cccc(OCC(F)F)n1
InChIInChI=1S/C8H6F2N2O/c9-7(10)5-13-8-3-1-2-6(4-11)12-8/h1-3,7H,5H2
InChIKeySSYANEDKQYPCCD-UHFFFAOYSA-N
MW184.15 g/mol
LogP1.60
Rot. Bonds3

About 6-(2,2-difluoroethoxy)pyridine-2-carbonitrile

6-(2,2-difluoroethoxy)pyridine-2-carbonitrile (PubChem CID 71757473) has the molecular formula C8H6F2N2O and a molecular weight of 184.15 g/mol. Its IUPAC name is 6-(2,2-difluoroethoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(2,2-difluoroethoxy)pyridine-2-carbonitrile
PubChem CID71757473
Molecular FormulaC8H6F2N2O
Molecular Weight184.15 g/mol
Exact Mass184.04
IUPAC Name6-(2,2-difluoroethoxy)pyridine-2-carbonitrile
SMILESN#Cc1cccc(OCC(F)F)n1
InChIInChI=1S/C8H6F2N2O/c9-7(10)5-13-8-3-1-2-6(4-11)12-8/h1-3,7H,5H2
InChIKeySSYANEDKQYPCCD-UHFFFAOYSA-N
XLogP1.60
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-difluoroethoxy)pyridine-2-carbonitrile?
The IUPAC name of 6-(2,2-difluoroethoxy)pyridine-2-carbonitrile (CID 71757473) is 6-(2,2-difluoroethoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(2,2-difluoroethoxy)pyridine-2-carbonitrile?
The canonical SMILES for 6-(2,2-difluoroethoxy)pyridine-2-carbonitrile is N#Cc1cccc(OCC(F)F)n1.
What is the InChIKey of 6-(2,2-difluoroethoxy)pyridine-2-carbonitrile?
The InChIKey is SSYANEDKQYPCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2O/c9-7(10)5-13-8-3-1-2-6(4-11)12-8/h1-3,7H,5H2.
What are the key properties of 6-(2,2-difluoroethoxy)pyridine-2-carbonitrile?
6-(2,2-difluoroethoxy)pyridine-2-carbonitrile has a molecular weight of 184.15 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-difluoroethoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 71757473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).