6-bromo-8-ethoxy-3-nitroimidazo[1,2-a]pyrazine

C8H7BrN4O3 — CID 10731996

IUPAC6-bromo-8-ethoxy-3-nitroimidazo[1,2-a]pyrazine
SMILESCCOc1nc(Br)cn2c([N+](=O)[O-])cnc12
InChIInChI=1S/C8H7BrN4O3/c1-2-16-8-7-10-3-6(13(14)15)12(7)4-5(9)11-8/h3-4H,2H2,1H3
InChIKeyNKTQAUBDTOBLKB-UHFFFAOYSA-N
MW287.07 g/mol
LogP1.80
Rot. Bonds3

About 6-bromo-8-ethoxy-3-nitroimidazo[1,2-a]pyrazine

6-bromo-8-ethoxy-3-nitroimidazo[1,2-a]pyrazine (PubChem CID 10731996) has the molecular formula C8H7BrN4O3 and a molecular weight of 287.07 g/mol. Its IUPAC name is 6-bromo-8-ethoxy-3-nitroimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-bromo-8-ethoxy-3-nitroimidazo[1,2-a]pyrazine
PubChem CID10731996
Molecular FormulaC8H7BrN4O3
Molecular Weight287.07 g/mol
Exact Mass285.97
IUPAC Name6-bromo-8-ethoxy-3-nitroimidazo[1,2-a]pyrazine
SMILESCCOc1nc(Br)cn2c([N+](=O)[O-])cnc12
InChIInChI=1S/C8H7BrN4O3/c1-2-16-8-7-10-3-6(13(14)15)12(7)4-5(9)11-8/h3-4H,2H2,1H3
InChIKeyNKTQAUBDTOBLKB-UHFFFAOYSA-N
XLogP1.80
TPSA82.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.07
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-ethoxy-3-nitroimidazo[1,2-a]pyrazine?
The IUPAC name of 6-bromo-8-ethoxy-3-nitroimidazo[1,2-a]pyrazine (CID 10731996) is 6-bromo-8-ethoxy-3-nitroimidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-bromo-8-ethoxy-3-nitroimidazo[1,2-a]pyrazine?
The canonical SMILES for 6-bromo-8-ethoxy-3-nitroimidazo[1,2-a]pyrazine is CCOc1nc(Br)cn2c([N+](=O)[O-])cnc12.
What is the InChIKey of 6-bromo-8-ethoxy-3-nitroimidazo[1,2-a]pyrazine?
The InChIKey is NKTQAUBDTOBLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN4O3/c1-2-16-8-7-10-3-6(13(14)15)12(7)4-5(9)11-8/h3-4H,2H2,1H3.
What are the key properties of 6-bromo-8-ethoxy-3-nitroimidazo[1,2-a]pyrazine?
6-bromo-8-ethoxy-3-nitroimidazo[1,2-a]pyrazine has a molecular weight of 287.07 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-ethoxy-3-nitroimidazo[1,2-a]pyrazine is sourced from PubChem (CID 10731996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).