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

C13H3IN4O — CID 70987446

IUPAC6-iodo-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
SMILESN#Cc1nc2c(nc1C#N)-c1cc(I)ccc1C2=O
InChIInChI=1S/C13H3IN4O/c14-6-1-2-7-8(3-6)11-12(13(7)19)18-10(5-16)9(4-15)17-11/h1-3H
InChIKeyNDBOWCQWQXEBPB-UHFFFAOYSA-N
MW358.10 g/mol
LogP2.04
Rot. Bonds

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

6-iodo-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile (PubChem CID 70987446) has the molecular formula C13H3IN4O and a molecular weight of 358.10 g/mol. Its IUPAC name is 6-iodo-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile.

Molecular Properties

Compound Name6-iodo-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
PubChem CID70987446
Molecular FormulaC13H3IN4O
Molecular Weight358.10 g/mol
Exact Mass357.94
IUPAC Name6-iodo-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
SMILESN#Cc1nc2c(nc1C#N)-c1cc(I)ccc1C2=O
InChIInChI=1S/C13H3IN4O/c14-6-1-2-7-8(3-6)11-12(13(7)19)18-10(5-16)9(4-15)17-11/h1-3H
InChIKeyNDBOWCQWQXEBPB-UHFFFAOYSA-N
XLogP2.04
TPSA90.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.10
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

7-iodo-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
CID 70987426
3-amino-6-chloro-9-oxoindeno[1,2-b]pyrazine-2-carbonitrile
CID 70987443
9-oxo-3-(2-phenylethynyl)indeno[1,2-b]pyrazine-2-carbonitrile
CID 155549898
6-chloro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;2-(2-cyano-9-oxoindeno[1,2-b]pyrazin-3-yl)acetamide
CID 159982210
(2-cyano-9-oxoindeno[1,2-b]pyrazin-3-yl) carbamate
CID 67059693
5,6-bis(2-chlorophenyl)pyrazine-2,3-dicarbonitrile
CID 132588447
2-chloro-7-iodofluoren-9-one
CID 86047410
2,3-diamino-7-iodofluoren-9-one
CID 12018453
2-(2,6-diamino-5-cyanopyrimidin-4-yl)-5-iodobenzoic acid
CID 169396965
9-(dicyanomethylidene)-6-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazine-2,3-dicarbonitrile
CID 143691854
5-amino-2-(2-cyano-4-iodophenyl)benzonitrile
CID 138665964
7-fluoroindeno[1,2-b]quinoxalin-11-one
CID 122192565

Frequently Asked Questions

What is the IUPAC name of 6-iodo-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile?
The IUPAC name of 6-iodo-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile (CID 70987446) is 6-iodo-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile.
What is the SMILES notation for 6-iodo-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile?
The canonical SMILES for 6-iodo-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile is N#Cc1nc2c(nc1C#N)-c1cc(I)ccc1C2=O.
What is the InChIKey of 6-iodo-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile?
The InChIKey is NDBOWCQWQXEBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H3IN4O/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-iodo-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile?
6-iodo-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile has a molecular weight of 358.10 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile is sourced from PubChem (CID 70987446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).