7-chloro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;7-fluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile

C26H6ClFN8O2 — CID 69110144

IUPAC7-chloro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;7-fluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
SMILESN#Cc1nc2c(nc1C#N)-c1ccc(Cl)cc1C2=O.N#Cc1nc2c(nc1C#N)-c1ccc(F)cc1C2=O
InChIInChI=1S/C13H3ClN4O.C13H3FN4O/c2*14-6-1-2-7-8(3-6)13(19)12-11(7)17-9(4-15)10(5-16)18-12/h2*1-3H
InChIKeyOILWAAHPNSMTFY-UHFFFAOYSA-N
MW516.84 g/mol
LogP3.66
Rot. Bonds

About 7-chloro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;7-fluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile

7-chloro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;7-fluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile (PubChem CID 69110144) has the molecular formula C26H6ClFN8O2 and a molecular weight of 516.84 g/mol. Its IUPAC name is 7-chloro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;7-fluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile.

Molecular Properties

Compound Name7-chloro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;7-fluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
PubChem CID69110144
Molecular FormulaC26H6ClFN8O2
Molecular Weight516.84 g/mol
Exact Mass516.03
IUPAC Name7-chloro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;7-fluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
SMILESN#Cc1nc2c(nc1C#N)-c1ccc(Cl)cc1C2=O.N#Cc1nc2c(nc1C#N)-c1ccc(F)cc1C2=O
InChIInChI=1S/C13H3ClN4O.C13H3FN4O/c2*14-6-1-2-7-8(3-6)13(19)12-11(7)17-9(4-15)10(5-16)18-12/h2*1-3H
InChIKeyOILWAAHPNSMTFY-UHFFFAOYSA-N
XLogP3.66
TPSA180.86 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.84
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;7-fluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile?
The IUPAC name of 7-chloro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;7-fluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile (CID 69110144) is 7-chloro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;7-fluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile.
What is the SMILES notation for 7-chloro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;7-fluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile?
The canonical SMILES for 7-chloro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;7-fluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile is N#Cc1nc2c(nc1C#N)-c1ccc(Cl)cc1C2=O.N#Cc1nc2c(nc1C#N)-c1ccc(F)cc1C2=O.
What is the InChIKey of 7-chloro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;7-fluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile?
The InChIKey is OILWAAHPNSMTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H3ClN4O.C13H3FN4O/c2*14-6-1-2-7-8(3-6)13(19)12-11(7)17-9(4-15)10(5-16)18-12/h2*1-3H.
What are the key properties of 7-chloro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;7-fluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile?
7-chloro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;7-fluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile has a molecular weight of 516.84 g/mol, XLogP of 3.66, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;7-fluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile is sourced from PubChem (CID 69110144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).