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

C13H3FN4O — CID 155529315

IUPAC6-fluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
SMILESN#Cc1nc2c(nc1C#N)-c1cc(F)ccc1C2=O
InChIInChI=1S/C13H3FN4O/c14-6-1-2-7-8(3-6)11-12(13(7)19)18-10(5-16)9(4-15)17-11/h1-3H
InChIKeyYLDWOKZRZAJOJD-UHFFFAOYSA-N
MW250.19 g/mol
LogP1.57
Rot. Bonds

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

6-fluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile (PubChem CID 155529315) has the molecular formula C13H3FN4O and a molecular weight of 250.19 g/mol. Its IUPAC name is 6-fluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile.

Molecular Properties

Compound Name6-fluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
PubChem CID155529315
Molecular FormulaC13H3FN4O
Molecular Weight250.19 g/mol
Exact Mass250.03
IUPAC Name6-fluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
SMILESN#Cc1nc2c(nc1C#N)-c1cc(F)ccc1C2=O
InChIInChI=1S/C13H3FN4O/c14-6-1-2-7-8(3-6)11-12(13(7)19)18-10(5-16)9(4-15)17-11/h1-3H
InChIKeyYLDWOKZRZAJOJD-UHFFFAOYSA-N
XLogP1.57
TPSA90.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.19
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile?
The IUPAC name of 6-fluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile (CID 155529315) is 6-fluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile.
What is the SMILES notation for 6-fluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile?
The canonical SMILES for 6-fluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile is N#Cc1nc2c(nc1C#N)-c1cc(F)ccc1C2=O.
What is the InChIKey of 6-fluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile?
The InChIKey is YLDWOKZRZAJOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H3FN4O/c14-6-1-2-7-8(3-6)11-12(13(7)19)18-10(5-16)9(4-15)17-11/h1-3H.
What are the key properties of 6-fluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile?
6-fluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile has a molecular weight of 250.19 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile is sourced from PubChem (CID 155529315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).