1-iodo-2,3-dimethylindole

C10H10IN — CID 146323818

IUPAC1-iodo-2,3-dimethylindole
SMILESCc1c(C)n(I)c2ccccc12
InChIInChI=1S/C10H10IN/c1-7-8(2)12(11)10-6-4-3-5-9(7)10/h3-6H,1-2H3
InChIKeyBGVUDZVDWODCMZ-UHFFFAOYSA-N
MW271.10 g/mol
LogP3.46
Rot. Bonds

About 1-iodo-2,3-dimethylindole

1-iodo-2,3-dimethylindole (PubChem CID 146323818) has the molecular formula C10H10IN and a molecular weight of 271.10 g/mol. Its IUPAC name is 1-iodo-2,3-dimethylindole.

Molecular Properties

Compound Name1-iodo-2,3-dimethylindole
PubChem CID146323818
Molecular FormulaC10H10IN
Molecular Weight271.10 g/mol
Exact Mass270.99
IUPAC Name1-iodo-2,3-dimethylindole
SMILESCc1c(C)n(I)c2ccccc12
InChIInChI=1S/C10H10IN/c1-7-8(2)12(11)10-6-4-3-5-9(7)10/h3-6H,1-2H3
InChIKeyBGVUDZVDWODCMZ-UHFFFAOYSA-N
XLogP3.46
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.10
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-iodo-2,3-dimethylindole?
The IUPAC name of 1-iodo-2,3-dimethylindole (CID 146323818) is 1-iodo-2,3-dimethylindole.
What is the SMILES notation for 1-iodo-2,3-dimethylindole?
The canonical SMILES for 1-iodo-2,3-dimethylindole is Cc1c(C)n(I)c2ccccc12.
What is the InChIKey of 1-iodo-2,3-dimethylindole?
The InChIKey is BGVUDZVDWODCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10IN/c1-7-8(2)12(11)10-6-4-3-5-9(7)10/h3-6H,1-2H3.
What are the key properties of 1-iodo-2,3-dimethylindole?
1-iodo-2,3-dimethylindole has a molecular weight of 271.10 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2,3-dimethylindole is sourced from PubChem (CID 146323818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).