6,7-dichloro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;7-fluoro-8-methyl-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile

C27H7Cl2FN8O2 — CID 69110059

IUPAC6,7-dichloro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;7-fluoro-8-methyl-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
SMILESCc1c(F)ccc2c1C(=O)c1nc(C#N)c(C#N)nc1-2.N#Cc1nc2c(nc1C#N)-c1cc(Cl)c(Cl)cc1C2=O
InChIInChI=1S/C14H5FN4O.C13H2Cl2N4O/c1-6-8(15)3-2-7-11(6)14(20)13-12(7)18-9(4-16)10(5-17)19-13;14-7-1-5-6(2-8(7)15)13(20)12-11(5)18-9(3-16)10(4-17)19-12/h2-3H,1H3;1-2H
InChIKeyBDCIZNYSPMHASY-UHFFFAOYSA-N
MW565.31 g/mol
LogP4.62
Rot. Bonds

About 6,7-dichloro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;7-fluoro-8-methyl-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile

6,7-dichloro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;7-fluoro-8-methyl-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile (PubChem CID 69110059) has the molecular formula C27H7Cl2FN8O2 and a molecular weight of 565.31 g/mol. Its IUPAC name is 6,7-dichloro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;7-fluoro-8-methyl-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile.

Molecular Properties

Compound Name6,7-dichloro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;7-fluoro-8-methyl-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
PubChem CID69110059
Molecular FormulaC27H7Cl2FN8O2
Molecular Weight565.31 g/mol
Exact Mass564.01
IUPAC Name6,7-dichloro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;7-fluoro-8-methyl-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
SMILESCc1c(F)ccc2c1C(=O)c1nc(C#N)c(C#N)nc1-2.N#Cc1nc2c(nc1C#N)-c1cc(Cl)c(Cl)cc1C2=O
InChIInChI=1S/C14H5FN4O.C13H2Cl2N4O/c1-6-8(15)3-2-7-11(6)14(20)13-12(7)18-9(4-16)10(5-17)19-13;14-7-1-5-6(2-8(7)15)13(20)12-11(5)18-9(3-16)10(4-17)19-12/h2-3H,1H3;1-2H
InChIKeyBDCIZNYSPMHASY-UHFFFAOYSA-N
XLogP4.62
TPSA180.86 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.31
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 6,7-dichloro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;7-fluoro-8-methyl-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;7-fluoro-8-methyl-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile?
The IUPAC name of 6,7-dichloro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;7-fluoro-8-methyl-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile (CID 69110059) is 6,7-dichloro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;7-fluoro-8-methyl-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile.
What is the SMILES notation for 6,7-dichloro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;7-fluoro-8-methyl-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile?
The canonical SMILES for 6,7-dichloro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;7-fluoro-8-methyl-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile is Cc1c(F)ccc2c1C(=O)c1nc(C#N)c(C#N)nc1-2.N#Cc1nc2c(nc1C#N)-c1cc(Cl)c(Cl)cc1C2=O.
What is the InChIKey of 6,7-dichloro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;7-fluoro-8-methyl-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile?
The InChIKey is BDCIZNYSPMHASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H5FN4O.C13H2Cl2N4O/c1-6-8(15)3-2-7-11(6)14(20)13-12(7)18-9(4-16)10(5-17)19-13;14-7-1-5-6(2-8(7)15)13(20)12-11(5)18-9(3-16)10(4-17)19-12/h2-3H,1H3;1-2H.
What are the key properties of 6,7-dichloro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;7-fluoro-8-methyl-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile?
6,7-dichloro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;7-fluoro-8-methyl-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile has a molecular weight of 565.31 g/mol, XLogP of 4.62, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;7-fluoro-8-methyl-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile is sourced from PubChem (CID 69110059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).