2-ethynylquinoxaline

C10H6N2 — CID 10511060

IUPAC2-ethynylquinoxaline
SMILESC#Cc1cnc2ccccc2n1
InChIInChI=1S/C10H6N2/c1-2-8-7-11-9-5-3-4-6-10(9)12-8/h1,3-7H
InChIKeyDSBXCMSDHQSXAW-UHFFFAOYSA-N
MW154.17 g/mol
LogP1.61
Rot. Bonds

About 2-ethynylquinoxaline

2-ethynylquinoxaline (PubChem CID 10511060) has the molecular formula C10H6N2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-ethynylquinoxaline.

Molecular Properties

Compound Name2-ethynylquinoxaline
PubChem CID10511060
Molecular FormulaC10H6N2
Molecular Weight154.17 g/mol
Exact Mass154.05
IUPAC Name2-ethynylquinoxaline
SMILESC#Cc1cnc2ccccc2n1
InChIInChI=1S/C10H6N2/c1-2-8-7-11-9-5-3-4-6-10(9)12-8/h1,3-7H
InChIKeyDSBXCMSDHQSXAW-UHFFFAOYSA-N
XLogP1.61
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethynylquinoxaline?
The IUPAC name of 2-ethynylquinoxaline (CID 10511060) is 2-ethynylquinoxaline.
What is the SMILES notation for 2-ethynylquinoxaline?
The canonical SMILES for 2-ethynylquinoxaline is C#Cc1cnc2ccccc2n1.
What is the InChIKey of 2-ethynylquinoxaline?
The InChIKey is DSBXCMSDHQSXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2/c1-2-8-7-11-9-5-3-4-6-10(9)12-8/h1,3-7H.
What are the key properties of 2-ethynylquinoxaline?
2-ethynylquinoxaline has a molecular weight of 154.17 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethynylquinoxaline is sourced from PubChem (CID 10511060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).