quinoxaline-2-carbonitrile

C9H5N3 — CID 593212

IUPACquinoxaline-2-carbonitrile
SMILESN#Cc1cnc2ccccc2n1
InChIInChI=1S/C9H5N3/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-4,6H
InChIKeyIVYZWJPQNNZOHV-UHFFFAOYSA-N
MW155.16 g/mol
LogP1.50
Rot. Bonds

About quinoxaline-2-carbonitrile

quinoxaline-2-carbonitrile (PubChem CID 593212) has the molecular formula C9H5N3 and a molecular weight of 155.16 g/mol. Its IUPAC name is quinoxaline-2-carbonitrile.

Molecular Properties

Compound Namequinoxaline-2-carbonitrile
PubChem CID593212
Molecular FormulaC9H5N3
Molecular Weight155.16 g/mol
Exact Mass155.05
IUPAC Namequinoxaline-2-carbonitrile
SMILESN#Cc1cnc2ccccc2n1
InChIInChI=1S/C9H5N3/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-4,6H
InChIKeyIVYZWJPQNNZOHV-UHFFFAOYSA-N
XLogP1.50
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of quinoxaline-2-carbonitrile?
The IUPAC name of quinoxaline-2-carbonitrile (CID 593212) is quinoxaline-2-carbonitrile.
What is the SMILES notation for quinoxaline-2-carbonitrile?
The canonical SMILES for quinoxaline-2-carbonitrile is N#Cc1cnc2ccccc2n1.
What is the InChIKey of quinoxaline-2-carbonitrile?
The InChIKey is IVYZWJPQNNZOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N3/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-4,6H.
What are the key properties of quinoxaline-2-carbonitrile?
quinoxaline-2-carbonitrile has a molecular weight of 155.16 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for quinoxaline-2-carbonitrile is sourced from PubChem (CID 593212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).