2,3-bis(bromomethyl)quinoxaline

C10H8Br2N2 — CID 18449

IUPAC2,3-bis(bromomethyl)quinoxaline
SMILESBrCc1nc2ccccc2nc1CBr
InChIInChI=1S/C10H8Br2N2/c11-5-9-10(6-12)14-8-4-2-1-3-7(8)13-9/h1-4H,5-6H2
InChIKeyLHKFFORGJVELPC-UHFFFAOYSA-N
MW316.00 g/mol
LogP3.42
Rot. Bonds2

About 2,3-bis(bromomethyl)quinoxaline

2,3-bis(bromomethyl)quinoxaline (PubChem CID 18449) has the molecular formula C10H8Br2N2 and a molecular weight of 316.00 g/mol. Its IUPAC name is 2,3-bis(bromomethyl)quinoxaline.

Molecular Properties

Compound Name2,3-bis(bromomethyl)quinoxaline
PubChem CID18449
Molecular FormulaC10H8Br2N2
Molecular Weight316.00 g/mol
Exact Mass313.91
IUPAC Name2,3-bis(bromomethyl)quinoxaline
SMILESBrCc1nc2ccccc2nc1CBr
InChIInChI=1S/C10H8Br2N2/c11-5-9-10(6-12)14-8-4-2-1-3-7(8)13-9/h1-4H,5-6H2
InChIKeyLHKFFORGJVELPC-UHFFFAOYSA-N
XLogP3.42
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.00
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(bromomethyl)quinoxaline?
The IUPAC name of 2,3-bis(bromomethyl)quinoxaline (CID 18449) is 2,3-bis(bromomethyl)quinoxaline.
What is the SMILES notation for 2,3-bis(bromomethyl)quinoxaline?
The canonical SMILES for 2,3-bis(bromomethyl)quinoxaline is BrCc1nc2ccccc2nc1CBr.
What is the InChIKey of 2,3-bis(bromomethyl)quinoxaline?
The InChIKey is LHKFFORGJVELPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2N2/c11-5-9-10(6-12)14-8-4-2-1-3-7(8)13-9/h1-4H,5-6H2.
What are the key properties of 2,3-bis(bromomethyl)quinoxaline?
2,3-bis(bromomethyl)quinoxaline has a molecular weight of 316.00 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(bromomethyl)quinoxaline is sourced from PubChem (CID 18449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).