2,3-bis(bromomethyl)quinoxaline-6,7-diamine

C10H10Br2N4 — CID 11674617

IUPAC2,3-bis(bromomethyl)quinoxaline-6,7-diamine
SMILESNc1cc2nc(CBr)c(CBr)nc2cc1N
InChIInChI=1S/C10H10Br2N4/c11-3-9-10(4-12)16-8-2-6(14)5(13)1-7(8)15-9/h1-2H,3-4,13-14H2
InChIKeySEXORUTVBSMZPD-UHFFFAOYSA-N
MW346.03 g/mol
LogP2.58
Rot. Bonds2

About 2,3-bis(bromomethyl)quinoxaline-6,7-diamine

2,3-bis(bromomethyl)quinoxaline-6,7-diamine (PubChem CID 11674617) has the molecular formula C10H10Br2N4 and a molecular weight of 346.03 g/mol. Its IUPAC name is 2,3-bis(bromomethyl)quinoxaline-6,7-diamine.

Molecular Properties

Compound Name2,3-bis(bromomethyl)quinoxaline-6,7-diamine
PubChem CID11674617
Molecular FormulaC10H10Br2N4
Molecular Weight346.03 g/mol
Exact Mass343.93
IUPAC Name2,3-bis(bromomethyl)quinoxaline-6,7-diamine
SMILESNc1cc2nc(CBr)c(CBr)nc2cc1N
InChIInChI=1S/C10H10Br2N4/c11-3-9-10(4-12)16-8-2-6(14)5(13)1-7(8)15-9/h1-2H,3-4,13-14H2
InChIKeySEXORUTVBSMZPD-UHFFFAOYSA-N
XLogP2.58
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.03
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(bromomethyl)quinoxaline-6,7-diamine?
The IUPAC name of 2,3-bis(bromomethyl)quinoxaline-6,7-diamine (CID 11674617) is 2,3-bis(bromomethyl)quinoxaline-6,7-diamine.
What is the SMILES notation for 2,3-bis(bromomethyl)quinoxaline-6,7-diamine?
The canonical SMILES for 2,3-bis(bromomethyl)quinoxaline-6,7-diamine is Nc1cc2nc(CBr)c(CBr)nc2cc1N.
What is the InChIKey of 2,3-bis(bromomethyl)quinoxaline-6,7-diamine?
The InChIKey is SEXORUTVBSMZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2N4/c11-3-9-10(4-12)16-8-2-6(14)5(13)1-7(8)15-9/h1-2H,3-4,13-14H2.
What are the key properties of 2,3-bis(bromomethyl)quinoxaline-6,7-diamine?
2,3-bis(bromomethyl)quinoxaline-6,7-diamine has a molecular weight of 346.03 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(bromomethyl)quinoxaline-6,7-diamine is sourced from PubChem (CID 11674617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).