3-chloro-5-iodo-2-methylquinoxaline

C9H6ClIN2 — CID 133059926

IUPAC3-chloro-5-iodo-2-methylquinoxaline
SMILESCc1nc2cccc(I)c2nc1Cl
InChIInChI=1S/C9H6ClIN2/c1-5-9(10)13-8-6(11)3-2-4-7(8)12-5/h2-4H,1H3
InChIKeyUQDFVGVCFOINMO-UHFFFAOYSA-N
MW304.52 g/mol
LogP3.20
Rot. Bonds

About 3-chloro-5-iodo-2-methylquinoxaline

3-chloro-5-iodo-2-methylquinoxaline (PubChem CID 133059926) has the molecular formula C9H6ClIN2 and a molecular weight of 304.52 g/mol. Its IUPAC name is 3-chloro-5-iodo-2-methylquinoxaline.

Molecular Properties

Compound Name3-chloro-5-iodo-2-methylquinoxaline
PubChem CID133059926
Molecular FormulaC9H6ClIN2
Molecular Weight304.52 g/mol
Exact Mass303.93
IUPAC Name3-chloro-5-iodo-2-methylquinoxaline
SMILESCc1nc2cccc(I)c2nc1Cl
InChIInChI=1S/C9H6ClIN2/c1-5-9(10)13-8-6(11)3-2-4-7(8)12-5/h2-4H,1H3
InChIKeyUQDFVGVCFOINMO-UHFFFAOYSA-N
XLogP3.20
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.52
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-iodo-2-methylquinoxaline?
The IUPAC name of 3-chloro-5-iodo-2-methylquinoxaline (CID 133059926) is 3-chloro-5-iodo-2-methylquinoxaline.
What is the SMILES notation for 3-chloro-5-iodo-2-methylquinoxaline?
The canonical SMILES for 3-chloro-5-iodo-2-methylquinoxaline is Cc1nc2cccc(I)c2nc1Cl.
What is the InChIKey of 3-chloro-5-iodo-2-methylquinoxaline?
The InChIKey is UQDFVGVCFOINMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClIN2/c1-5-9(10)13-8-6(11)3-2-4-7(8)12-5/h2-4H,1H3.
What are the key properties of 3-chloro-5-iodo-2-methylquinoxaline?
3-chloro-5-iodo-2-methylquinoxaline has a molecular weight of 304.52 g/mol, XLogP of 3.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-iodo-2-methylquinoxaline is sourced from PubChem (CID 133059926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).