5-(2,2-difluoroethoxy)pyrazine-2-carbonitrile

C7H5F2N3O — CID 75525853

IUPAC5-(2,2-difluoroethoxy)pyrazine-2-carbonitrile
SMILESN#Cc1cnc(OCC(F)F)cn1
InChIInChI=1S/C7H5F2N3O/c8-6(9)4-13-7-3-11-5(1-10)2-12-7/h2-3,6H,4H2
InChIKeyOHDOCUCIEABPIN-UHFFFAOYSA-N
MW185.13 g/mol
LogP0.99
Rot. Bonds3

About 5-(2,2-difluoroethoxy)pyrazine-2-carbonitrile

5-(2,2-difluoroethoxy)pyrazine-2-carbonitrile (PubChem CID 75525853) has the molecular formula C7H5F2N3O and a molecular weight of 185.13 g/mol. Its IUPAC name is 5-(2,2-difluoroethoxy)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-(2,2-difluoroethoxy)pyrazine-2-carbonitrile
PubChem CID75525853
Molecular FormulaC7H5F2N3O
Molecular Weight185.13 g/mol
Exact Mass185.04
IUPAC Name5-(2,2-difluoroethoxy)pyrazine-2-carbonitrile
SMILESN#Cc1cnc(OCC(F)F)cn1
InChIInChI=1S/C7H5F2N3O/c8-6(9)4-13-7-3-11-5(1-10)2-12-7/h2-3,6H,4H2
InChIKeyOHDOCUCIEABPIN-UHFFFAOYSA-N
XLogP0.99
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.13
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethoxy)pyrazine-2-carbonitrile?
The IUPAC name of 5-(2,2-difluoroethoxy)pyrazine-2-carbonitrile (CID 75525853) is 5-(2,2-difluoroethoxy)pyrazine-2-carbonitrile.
What is the SMILES notation for 5-(2,2-difluoroethoxy)pyrazine-2-carbonitrile?
The canonical SMILES for 5-(2,2-difluoroethoxy)pyrazine-2-carbonitrile is N#Cc1cnc(OCC(F)F)cn1.
What is the InChIKey of 5-(2,2-difluoroethoxy)pyrazine-2-carbonitrile?
The InChIKey is OHDOCUCIEABPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2N3O/c8-6(9)4-13-7-3-11-5(1-10)2-12-7/h2-3,6H,4H2.
What are the key properties of 5-(2,2-difluoroethoxy)pyrazine-2-carbonitrile?
5-(2,2-difluoroethoxy)pyrazine-2-carbonitrile has a molecular weight of 185.13 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethoxy)pyrazine-2-carbonitrile is sourced from PubChem (CID 75525853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).