5,8-difluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile

C13H2F2N4O — CID 155530662

IUPAC5,8-difluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
SMILESN#Cc1nc2c(nc1C#N)-c1c(F)ccc(F)c1C2=O
InChIInChI=1S/C13H2F2N4O/c14-5-1-2-6(15)10-9(5)11-12(13(10)20)19-8(4-17)7(3-16)18-11/h1-2H
InChIKeyMISYHKHBNYFVKS-UHFFFAOYSA-N
MW268.18 g/mol
LogP1.71
Rot. Bonds

About 5,8-difluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile

5,8-difluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile (PubChem CID 155530662) has the molecular formula C13H2F2N4O and a molecular weight of 268.18 g/mol. Its IUPAC name is 5,8-difluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile.

Molecular Properties

Compound Name5,8-difluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
PubChem CID155530662
Molecular FormulaC13H2F2N4O
Molecular Weight268.18 g/mol
Exact Mass268.02
IUPAC Name5,8-difluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
SMILESN#Cc1nc2c(nc1C#N)-c1c(F)ccc(F)c1C2=O
InChIInChI=1S/C13H2F2N4O/c14-5-1-2-6(15)10-9(5)11-12(13(10)20)19-8(4-17)7(3-16)18-11/h1-2H
InChIKeyMISYHKHBNYFVKS-UHFFFAOYSA-N
XLogP1.71
TPSA90.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.18
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,8-difluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile?
The IUPAC name of 5,8-difluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile (CID 155530662) is 5,8-difluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile.
What is the SMILES notation for 5,8-difluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile?
The canonical SMILES for 5,8-difluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile is N#Cc1nc2c(nc1C#N)-c1c(F)ccc(F)c1C2=O.
What is the InChIKey of 5,8-difluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile?
The InChIKey is MISYHKHBNYFVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H2F2N4O/c14-5-1-2-6(15)10-9(5)11-12(13(10)20)19-8(4-17)7(3-16)18-11/h1-2H.
What are the key properties of 5,8-difluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile?
5,8-difluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile has a molecular weight of 268.18 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-difluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile is sourced from PubChem (CID 155530662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).