3-chloro-4-iodo-7-methyl-1H-indole

C9H7ClIN — CID 130052075

IUPAC3-chloro-4-iodo-7-methyl-1H-indole
SMILESCc1ccc(I)c2c(Cl)c[nH]c12
InChIInChI=1S/C9H7ClIN/c1-5-2-3-7(11)8-6(10)4-12-9(5)8/h2-4,12H,1H3
InChIKeySZOZFYQYACXNGH-UHFFFAOYSA-N
MW291.52 g/mol
LogP3.73
Rot. Bonds

About 3-chloro-4-iodo-7-methyl-1H-indole

3-chloro-4-iodo-7-methyl-1H-indole (PubChem CID 130052075) has the molecular formula C9H7ClIN and a molecular weight of 291.52 g/mol. Its IUPAC name is 3-chloro-4-iodo-7-methyl-1H-indole.

Molecular Properties

Compound Name3-chloro-4-iodo-7-methyl-1H-indole
PubChem CID130052075
Molecular FormulaC9H7ClIN
Molecular Weight291.52 g/mol
Exact Mass290.93
IUPAC Name3-chloro-4-iodo-7-methyl-1H-indole
SMILESCc1ccc(I)c2c(Cl)c[nH]c12
InChIInChI=1S/C9H7ClIN/c1-5-2-3-7(11)8-6(10)4-12-9(5)8/h2-4,12H,1H3
InChIKeySZOZFYQYACXNGH-UHFFFAOYSA-N
XLogP3.73
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.52
LogP ≤ 53.73
H-Bond Donors ≤ 51
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 3-chloro-4-iodo-7-methyl-1H-indole?
The IUPAC name of 3-chloro-4-iodo-7-methyl-1H-indole (CID 130052075) is 3-chloro-4-iodo-7-methyl-1H-indole.
What is the SMILES notation for 3-chloro-4-iodo-7-methyl-1H-indole?
The canonical SMILES for 3-chloro-4-iodo-7-methyl-1H-indole is Cc1ccc(I)c2c(Cl)c[nH]c12.
What is the InChIKey of 3-chloro-4-iodo-7-methyl-1H-indole?
The InChIKey is SZOZFYQYACXNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClIN/c1-5-2-3-7(11)8-6(10)4-12-9(5)8/h2-4,12H,1H3.
What are the key properties of 3-chloro-4-iodo-7-methyl-1H-indole?
3-chloro-4-iodo-7-methyl-1H-indole has a molecular weight of 291.52 g/mol, XLogP of 3.73, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-iodo-7-methyl-1H-indole is sourced from PubChem (CID 130052075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).