6,7-dichloro-2-methylquinoxaline

C9H6Cl2N2 — CID 899993

IUPAC6,7-dichloro-2-methylquinoxaline
SMILESCc1cnc2cc(Cl)c(Cl)cc2n1
InChIInChI=1S/C9H6Cl2N2/c1-5-4-12-8-2-6(10)7(11)3-9(8)13-5/h2-4H,1H3
InChIKeyPMCYHTDCTXRDFL-UHFFFAOYSA-N
MW213.07 g/mol
LogP3.25
Rot. Bonds

About 6,7-dichloro-2-methylquinoxaline

6,7-dichloro-2-methylquinoxaline (PubChem CID 899993) has the molecular formula C9H6Cl2N2 and a molecular weight of 213.07 g/mol. Its IUPAC name is 6,7-dichloro-2-methylquinoxaline.

Molecular Properties

Compound Name6,7-dichloro-2-methylquinoxaline
PubChem CID899993
Molecular FormulaC9H6Cl2N2
Molecular Weight213.07 g/mol
Exact Mass211.99
IUPAC Name6,7-dichloro-2-methylquinoxaline
SMILESCc1cnc2cc(Cl)c(Cl)cc2n1
InChIInChI=1S/C9H6Cl2N2/c1-5-4-12-8-2-6(10)7(11)3-9(8)13-5/h2-4H,1H3
InChIKeyPMCYHTDCTXRDFL-UHFFFAOYSA-N
XLogP3.25
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.07
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-2-methylquinoxaline?
The IUPAC name of 6,7-dichloro-2-methylquinoxaline (CID 899993) is 6,7-dichloro-2-methylquinoxaline.
What is the SMILES notation for 6,7-dichloro-2-methylquinoxaline?
The canonical SMILES for 6,7-dichloro-2-methylquinoxaline is Cc1cnc2cc(Cl)c(Cl)cc2n1.
What is the InChIKey of 6,7-dichloro-2-methylquinoxaline?
The InChIKey is PMCYHTDCTXRDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2/c1-5-4-12-8-2-6(10)7(11)3-9(8)13-5/h2-4H,1H3.
What are the key properties of 6,7-dichloro-2-methylquinoxaline?
6,7-dichloro-2-methylquinoxaline has a molecular weight of 213.07 g/mol, XLogP of 3.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-2-methylquinoxaline is sourced from PubChem (CID 899993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).