5-bromo-7-methylquinoxaline

C9H7BrN2 — CID 45117463

IUPAC5-bromo-7-methylquinoxaline
SMILESCc1cc(Br)c2nccnc2c1
InChIInChI=1S/C9H7BrN2/c1-6-4-7(10)9-8(5-6)11-2-3-12-9/h2-5H,1H3
InChIKeyOJXHKRFUHPGXLS-UHFFFAOYSA-N
MW223.07 g/mol
LogP2.70
Rot. Bonds

About 5-bromo-7-methylquinoxaline

5-bromo-7-methylquinoxaline (PubChem CID 45117463) has the molecular formula C9H7BrN2 and a molecular weight of 223.07 g/mol. Its IUPAC name is 5-bromo-7-methylquinoxaline.

Molecular Properties

Compound Name5-bromo-7-methylquinoxaline
PubChem CID45117463
Molecular FormulaC9H7BrN2
Molecular Weight223.07 g/mol
Exact Mass221.98
IUPAC Name5-bromo-7-methylquinoxaline
SMILESCc1cc(Br)c2nccnc2c1
InChIInChI=1S/C9H7BrN2/c1-6-4-7(10)9-8(5-6)11-2-3-12-9/h2-5H,1H3
InChIKeyOJXHKRFUHPGXLS-UHFFFAOYSA-N
XLogP2.70
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.07
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-methylquinoxaline?
The IUPAC name of 5-bromo-7-methylquinoxaline (CID 45117463) is 5-bromo-7-methylquinoxaline.
What is the SMILES notation for 5-bromo-7-methylquinoxaline?
The canonical SMILES for 5-bromo-7-methylquinoxaline is Cc1cc(Br)c2nccnc2c1.
What is the InChIKey of 5-bromo-7-methylquinoxaline?
The InChIKey is OJXHKRFUHPGXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2/c1-6-4-7(10)9-8(5-6)11-2-3-12-9/h2-5H,1H3.
What are the key properties of 5-bromo-7-methylquinoxaline?
5-bromo-7-methylquinoxaline has a molecular weight of 223.07 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-methylquinoxaline is sourced from PubChem (CID 45117463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).