8-bromo-2-chloro-6-methylquinoxaline

C9H6BrClN2 — CID 15239007

IUPAC8-bromo-2-chloro-6-methylquinoxaline
SMILESCc1cc(Br)c2nc(Cl)cnc2c1
InChIInChI=1S/C9H6BrClN2/c1-5-2-6(10)9-7(3-5)12-4-8(11)13-9/h2-4H,1H3
InChIKeyPLSSVWMFELYPHZ-UHFFFAOYSA-N
MW257.52 g/mol
LogP3.35
Rot. Bonds

About 8-bromo-2-chloro-6-methylquinoxaline

8-bromo-2-chloro-6-methylquinoxaline (PubChem CID 15239007) has the molecular formula C9H6BrClN2 and a molecular weight of 257.52 g/mol. Its IUPAC name is 8-bromo-2-chloro-6-methylquinoxaline.

Molecular Properties

Compound Name8-bromo-2-chloro-6-methylquinoxaline
PubChem CID15239007
Molecular FormulaC9H6BrClN2
Molecular Weight257.52 g/mol
Exact Mass255.94
IUPAC Name8-bromo-2-chloro-6-methylquinoxaline
SMILESCc1cc(Br)c2nc(Cl)cnc2c1
InChIInChI=1S/C9H6BrClN2/c1-5-2-6(10)9-7(3-5)12-4-8(11)13-9/h2-4H,1H3
InChIKeyPLSSVWMFELYPHZ-UHFFFAOYSA-N
XLogP3.35
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.52
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-chloro-6-methylquinoxaline?
The IUPAC name of 8-bromo-2-chloro-6-methylquinoxaline (CID 15239007) is 8-bromo-2-chloro-6-methylquinoxaline.
What is the SMILES notation for 8-bromo-2-chloro-6-methylquinoxaline?
The canonical SMILES for 8-bromo-2-chloro-6-methylquinoxaline is Cc1cc(Br)c2nc(Cl)cnc2c1.
What is the InChIKey of 8-bromo-2-chloro-6-methylquinoxaline?
The InChIKey is PLSSVWMFELYPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClN2/c1-5-2-6(10)9-7(3-5)12-4-8(11)13-9/h2-4H,1H3.
What are the key properties of 8-bromo-2-chloro-6-methylquinoxaline?
8-bromo-2-chloro-6-methylquinoxaline has a molecular weight of 257.52 g/mol, XLogP of 3.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-chloro-6-methylquinoxaline is sourced from PubChem (CID 15239007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).