5-(chloromethyl)-2,3-dimethylquinoxaline

C11H11ClN2 — CID 22036994

IUPAC5-(chloromethyl)-2,3-dimethylquinoxaline
SMILESCc1nc2cccc(CCl)c2nc1C
InChIInChI=1S/C11H11ClN2/c1-7-8(2)14-11-9(6-12)4-3-5-10(11)13-7/h3-5H,6H2,1-2H3
InChIKeyNNSHQAYGPHDGFX-UHFFFAOYSA-N
MW206.68 g/mol
LogP2.99
Rot. Bonds1

About 5-(chloromethyl)-2,3-dimethylquinoxaline

5-(chloromethyl)-2,3-dimethylquinoxaline (PubChem CID 22036994) has the molecular formula C11H11ClN2 and a molecular weight of 206.68 g/mol. Its IUPAC name is 5-(chloromethyl)-2,3-dimethylquinoxaline.

Molecular Properties

Compound Name5-(chloromethyl)-2,3-dimethylquinoxaline
PubChem CID22036994
Molecular FormulaC11H11ClN2
Molecular Weight206.68 g/mol
Exact Mass206.06
IUPAC Name5-(chloromethyl)-2,3-dimethylquinoxaline
SMILESCc1nc2cccc(CCl)c2nc1C
InChIInChI=1S/C11H11ClN2/c1-7-8(2)14-11-9(6-12)4-3-5-10(11)13-7/h3-5H,6H2,1-2H3
InChIKeyNNSHQAYGPHDGFX-UHFFFAOYSA-N
XLogP2.99
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.68
LogP ≤ 52.99
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 5-(chloromethyl)-2,3-dimethylquinoxaline?
The IUPAC name of 5-(chloromethyl)-2,3-dimethylquinoxaline (CID 22036994) is 5-(chloromethyl)-2,3-dimethylquinoxaline.
What is the SMILES notation for 5-(chloromethyl)-2,3-dimethylquinoxaline?
The canonical SMILES for 5-(chloromethyl)-2,3-dimethylquinoxaline is Cc1nc2cccc(CCl)c2nc1C.
What is the InChIKey of 5-(chloromethyl)-2,3-dimethylquinoxaline?
The InChIKey is NNSHQAYGPHDGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2/c1-7-8(2)14-11-9(6-12)4-3-5-10(11)13-7/h3-5H,6H2,1-2H3.
What are the key properties of 5-(chloromethyl)-2,3-dimethylquinoxaline?
5-(chloromethyl)-2,3-dimethylquinoxaline has a molecular weight of 206.68 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2,3-dimethylquinoxaline is sourced from PubChem (CID 22036994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).