2-chloro-3-(chloromethyl)quinoxaline

C9H6Cl2N2 — CID 119089737

IUPAC2-chloro-3-(chloromethyl)quinoxaline
SMILESClCc1nc2ccccc2nc1Cl
InChIInChI=1S/C9H6Cl2N2/c10-5-8-9(11)13-7-4-2-1-3-6(7)12-8/h1-4H,5H2
InChIKeyVZYXTUCEDLPIMY-UHFFFAOYSA-N
MW213.07 g/mol
LogP3.02
Rot. Bonds1

About 2-chloro-3-(chloromethyl)quinoxaline

2-chloro-3-(chloromethyl)quinoxaline (PubChem CID 119089737) has the molecular formula C9H6Cl2N2 and a molecular weight of 213.07 g/mol. Its IUPAC name is 2-chloro-3-(chloromethyl)quinoxaline.

Molecular Properties

Compound Name2-chloro-3-(chloromethyl)quinoxaline
PubChem CID119089737
Molecular FormulaC9H6Cl2N2
Molecular Weight213.07 g/mol
Exact Mass211.99
IUPAC Name2-chloro-3-(chloromethyl)quinoxaline
SMILESClCc1nc2ccccc2nc1Cl
InChIInChI=1S/C9H6Cl2N2/c10-5-8-9(11)13-7-4-2-1-3-6(7)12-8/h1-4H,5H2
InChIKeyVZYXTUCEDLPIMY-UHFFFAOYSA-N
XLogP3.02
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.07
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(chloromethyl)quinoxaline?
The IUPAC name of 2-chloro-3-(chloromethyl)quinoxaline (CID 119089737) is 2-chloro-3-(chloromethyl)quinoxaline.
What is the SMILES notation for 2-chloro-3-(chloromethyl)quinoxaline?
The canonical SMILES for 2-chloro-3-(chloromethyl)quinoxaline is ClCc1nc2ccccc2nc1Cl.
What is the InChIKey of 2-chloro-3-(chloromethyl)quinoxaline?
The InChIKey is VZYXTUCEDLPIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2/c10-5-8-9(11)13-7-4-2-1-3-6(7)12-8/h1-4H,5H2.
What are the key properties of 2-chloro-3-(chloromethyl)quinoxaline?
2-chloro-3-(chloromethyl)quinoxaline has a molecular weight of 213.07 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(chloromethyl)quinoxaline is sourced from PubChem (CID 119089737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).