3-iodo-5,7-dimethyl-1H-indole

C10H10IN — CID 15247557

IUPAC3-iodo-5,7-dimethyl-1H-indole
SMILESCc1cc(C)c2[nH]cc(I)c2c1
InChIInChI=1S/C10H10IN/c1-6-3-7(2)10-8(4-6)9(11)5-12-10/h3-5,12H,1-2H3
InChIKeyCZIOKOAOZLABNB-UHFFFAOYSA-N
MW271.10 g/mol
LogP3.39
Rot. Bonds

About 3-iodo-5,7-dimethyl-1H-indole

3-iodo-5,7-dimethyl-1H-indole (PubChem CID 15247557) has the molecular formula C10H10IN and a molecular weight of 271.10 g/mol. Its IUPAC name is 3-iodo-5,7-dimethyl-1H-indole.

Molecular Properties

Compound Name3-iodo-5,7-dimethyl-1H-indole
PubChem CID15247557
Molecular FormulaC10H10IN
Molecular Weight271.10 g/mol
Exact Mass270.99
IUPAC Name3-iodo-5,7-dimethyl-1H-indole
SMILESCc1cc(C)c2[nH]cc(I)c2c1
InChIInChI=1S/C10H10IN/c1-6-3-7(2)10-8(4-6)9(11)5-12-10/h3-5,12H,1-2H3
InChIKeyCZIOKOAOZLABNB-UHFFFAOYSA-N
XLogP3.39
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.10
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-iodo-5,7-dimethyl-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5,7-dimethyl-1H-indol-3-yl)propan-2-amine
CID 82397045
1-(5,7-dimethyl-1H-indol-3-yl)-N-methylmethanamine
CID 82490831
2-(5,7-dimethyl-1H-indol-3-yl)acetonitrile
CID 82490743
2-(5,7-dimethyl-1H-indol-3-yl)-N-methylpropan-2-amine
CID 84622445
8-fluoro-3-iodo-6-methyl-1H-quinolin-4-one
CID 102614971
5,7-dimethyl-3-pentan-2-yl-1H-indole
CID 106985627
(E)-3-(5,7-dimethyl-1H-indol-3-yl)prop-2-enoic acid
CID 82492862
5,7-dimethyl-3-(2-methylpentyl)-1H-indole
CID 106985356
5,7-dimethyl-3-(piperidin-4-ylmethyl)-1H-indole
CID 82497303
3,5-dimethyl-1H-indol-7-amine
CID 130049537
[(1S,2S)-2-(5,7-dimethyl-1H-indol-3-yl)cyclohexyl]azanium
CID 11877261
N-[2-(5,7-dimethyl-1H-indol-3-yl)ethyl]cyclopropanamine
CID 82494846

Frequently Asked Questions

What is the IUPAC name of 3-iodo-5,7-dimethyl-1H-indole?
The IUPAC name of 3-iodo-5,7-dimethyl-1H-indole (CID 15247557) is 3-iodo-5,7-dimethyl-1H-indole.
What is the SMILES notation for 3-iodo-5,7-dimethyl-1H-indole?
The canonical SMILES for 3-iodo-5,7-dimethyl-1H-indole is Cc1cc(C)c2[nH]cc(I)c2c1.
What is the InChIKey of 3-iodo-5,7-dimethyl-1H-indole?
The InChIKey is CZIOKOAOZLABNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10IN/c1-6-3-7(2)10-8(4-6)9(11)5-12-10/h3-5,12H,1-2H3.
What are the key properties of 3-iodo-5,7-dimethyl-1H-indole?
3-iodo-5,7-dimethyl-1H-indole has a molecular weight of 271.10 g/mol, XLogP of 3.39, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-5,7-dimethyl-1H-indole is sourced from PubChem (CID 15247557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).