6,7-difluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile

C13H2F2N4O — CID 138454764

IUPAC6,7-difluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
SMILESN#Cc1nc2c(nc1C#N)-c1cc(F)c(F)cc1C2=O
InChIInChI=1S/C13H2F2N4O/c14-7-1-5-6(2-8(7)15)13(20)12-11(5)18-9(3-16)10(4-17)19-12/h1-2H
InChIKeyPZUSGRHVYDQLHR-UHFFFAOYSA-N
MW268.18 g/mol
LogP1.71
Rot. Bonds

About 6,7-difluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile

6,7-difluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile (PubChem CID 138454764) has the molecular formula C13H2F2N4O and a molecular weight of 268.18 g/mol. Its IUPAC name is 6,7-difluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile.

Molecular Properties

Compound Name6,7-difluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
PubChem CID138454764
Molecular FormulaC13H2F2N4O
Molecular Weight268.18 g/mol
Exact Mass268.02
IUPAC Name6,7-difluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
SMILESN#Cc1nc2c(nc1C#N)-c1cc(F)c(F)cc1C2=O
InChIInChI=1S/C13H2F2N4O/c14-7-1-5-6(2-8(7)15)13(20)12-11(5)18-9(3-16)10(4-17)19-12/h1-2H
InChIKeyPZUSGRHVYDQLHR-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

Analyze 6,7-difluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile?
The IUPAC name of 6,7-difluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile (CID 138454764) is 6,7-difluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile.
What is the SMILES notation for 6,7-difluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile?
The canonical SMILES for 6,7-difluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile is N#Cc1nc2c(nc1C#N)-c1cc(F)c(F)cc1C2=O.
What is the InChIKey of 6,7-difluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile?
The InChIKey is PZUSGRHVYDQLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H2F2N4O/c14-7-1-5-6(2-8(7)15)13(20)12-11(5)18-9(3-16)10(4-17)19-12/h1-2H.
What are the key properties of 6,7-difluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile?
6,7-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 6,7-difluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile is sourced from PubChem (CID 138454764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).