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

C9H8IN — CID 126755505

IUPAC4-iodo-3-methyl-1H-indole
SMILESCc1c[nH]c2cccc(I)c12
InChIInChI=1S/C9H8IN/c1-6-5-11-8-4-2-3-7(10)9(6)8/h2-5,11H,1H3
InChIKeyBAAXZMFNTFCVCS-UHFFFAOYSA-N
MW257.07 g/mol
LogP3.08
Rot. Bonds

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

4-iodo-3-methyl-1H-indole (PubChem CID 126755505) has the molecular formula C9H8IN and a molecular weight of 257.07 g/mol. Its IUPAC name is 4-iodo-3-methyl-1H-indole.

Molecular Properties

Compound Name4-iodo-3-methyl-1H-indole
PubChem CID126755505
Molecular FormulaC9H8IN
Molecular Weight257.07 g/mol
Exact Mass256.97
IUPAC Name4-iodo-3-methyl-1H-indole
SMILESCc1c[nH]c2cccc(I)c12
InChIInChI=1S/C9H8IN/c1-6-5-11-8-4-2-3-7(10)9(6)8/h2-5,11H,1H3
InChIKeyBAAXZMFNTFCVCS-UHFFFAOYSA-N
XLogP3.08
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.07
LogP ≤ 53.08
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 4-iodo-3-methyl-1H-indole?
The IUPAC name of 4-iodo-3-methyl-1H-indole (CID 126755505) is 4-iodo-3-methyl-1H-indole.
What is the SMILES notation for 4-iodo-3-methyl-1H-indole?
The canonical SMILES for 4-iodo-3-methyl-1H-indole is Cc1c[nH]c2cccc(I)c12.
What is the InChIKey of 4-iodo-3-methyl-1H-indole?
The InChIKey is BAAXZMFNTFCVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8IN/c1-6-5-11-8-4-2-3-7(10)9(6)8/h2-5,11H,1H3.
What are the key properties of 4-iodo-3-methyl-1H-indole?
4-iodo-3-methyl-1H-indole has a molecular weight of 257.07 g/mol, XLogP of 3.08, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-3-methyl-1H-indole is sourced from PubChem (CID 126755505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).