5-(2,2-difluoroethoxy)pyridine-3-carbonitrile

C8H6F2N2O — CID 119054448

IUPAC5-(2,2-difluoroethoxy)pyridine-3-carbonitrile
SMILESN#Cc1cncc(OCC(F)F)c1
InChIInChI=1S/C8H6F2N2O/c9-8(10)5-13-7-1-6(2-11)3-12-4-7/h1,3-4,8H,5H2
InChIKeyDBXCWSVEANENBE-UHFFFAOYSA-N
MW184.15 g/mol
LogP1.60
Rot. Bonds3

About 5-(2,2-difluoroethoxy)pyridine-3-carbonitrile

5-(2,2-difluoroethoxy)pyridine-3-carbonitrile (PubChem CID 119054448) has the molecular formula C8H6F2N2O and a molecular weight of 184.15 g/mol. Its IUPAC name is 5-(2,2-difluoroethoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(2,2-difluoroethoxy)pyridine-3-carbonitrile
PubChem CID119054448
Molecular FormulaC8H6F2N2O
Molecular Weight184.15 g/mol
Exact Mass184.04
IUPAC Name5-(2,2-difluoroethoxy)pyridine-3-carbonitrile
SMILESN#Cc1cncc(OCC(F)F)c1
InChIInChI=1S/C8H6F2N2O/c9-8(10)5-13-7-1-6(2-11)3-12-4-7/h1,3-4,8H,5H2
InChIKeyDBXCWSVEANENBE-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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Related Compounds

5-(difluoromethoxy)pyridine-3-carbonitrile
CID 46311553
3-(2,2-difluoroethoxy)-5-ethoxypyridine
CID 150828183
3-tert-butyl-5-(2,2-difluoroethoxy)pyridine
CID 167245615
5-(4-fluorophenyl)peroxypyridine-3-carbonitrile
CID 87386211
4-(2,2-difluoroethoxy)pyridine-2-carbonitrile
CID 71758116
2-(2,2-difluoroethoxy)-6-methylpyridine-4-carbonitrile
CID 114766974
5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]pyridine-3-carbonitrile
CID 174070466
5-(fluoromethyl)pyridine-3-carbonitrile
CID 174750728
3-(2,2-difluoroethoxy)-4-methylbenzonitrile
CID 104853689
2-bromo-4-(2,2-difluoroethoxy)benzonitrile
CID 107277090
5-buta-1,3-dien-2-yloxypyridine-3-carbonitrile
CID 123684358
6-(difluoromethyl)-5-(fluoromethyl)pyridine-3-carbonitrile
CID 130095977

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethoxy)pyridine-3-carbonitrile?
The IUPAC name of 5-(2,2-difluoroethoxy)pyridine-3-carbonitrile (CID 119054448) is 5-(2,2-difluoroethoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 5-(2,2-difluoroethoxy)pyridine-3-carbonitrile?
The canonical SMILES for 5-(2,2-difluoroethoxy)pyridine-3-carbonitrile is N#Cc1cncc(OCC(F)F)c1.
What is the InChIKey of 5-(2,2-difluoroethoxy)pyridine-3-carbonitrile?
The InChIKey is DBXCWSVEANENBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2O/c9-8(10)5-13-7-1-6(2-11)3-12-4-7/h1,3-4,8H,5H2.
What are the key properties of 5-(2,2-difluoroethoxy)pyridine-3-carbonitrile?
5-(2,2-difluoroethoxy)pyridine-3-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 5-(2,2-difluoroethoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 119054448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).