5-chloro-2-iodo-1,3-dimethylbenzene

C8H8ClI — CID 50880550

IUPAC5-chloro-2-iodo-1,3-dimethylbenzene
SMILESCc1cc(Cl)cc(C)c1I
InChIInChI=1S/C8H8ClI/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,1-2H3
InChIKeyBYYCLAOKMYRFLD-UHFFFAOYSA-N
MW266.51 g/mol
LogP3.56
Rot. Bonds

About 5-chloro-2-iodo-1,3-dimethylbenzene

5-chloro-2-iodo-1,3-dimethylbenzene (PubChem CID 50880550) has the molecular formula C8H8ClI and a molecular weight of 266.51 g/mol. Its IUPAC name is 5-chloro-2-iodo-1,3-dimethylbenzene.

Molecular Properties

Compound Name5-chloro-2-iodo-1,3-dimethylbenzene
PubChem CID50880550
Molecular FormulaC8H8ClI
Molecular Weight266.51 g/mol
Exact Mass265.94
IUPAC Name5-chloro-2-iodo-1,3-dimethylbenzene
SMILESCc1cc(Cl)cc(C)c1I
InChIInChI=1S/C8H8ClI/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,1-2H3
InChIKeyBYYCLAOKMYRFLD-UHFFFAOYSA-N
XLogP3.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.51
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-iodo-1,3-dimethylbenzene?
The IUPAC name of 5-chloro-2-iodo-1,3-dimethylbenzene (CID 50880550) is 5-chloro-2-iodo-1,3-dimethylbenzene.
What is the SMILES notation for 5-chloro-2-iodo-1,3-dimethylbenzene?
The canonical SMILES for 5-chloro-2-iodo-1,3-dimethylbenzene is Cc1cc(Cl)cc(C)c1I.
What is the InChIKey of 5-chloro-2-iodo-1,3-dimethylbenzene?
The InChIKey is BYYCLAOKMYRFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClI/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,1-2H3.
What are the key properties of 5-chloro-2-iodo-1,3-dimethylbenzene?
5-chloro-2-iodo-1,3-dimethylbenzene has a molecular weight of 266.51 g/mol, XLogP of 3.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-iodo-1,3-dimethylbenzene is sourced from PubChem (CID 50880550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).