7-iodo-8-methyl-5,6,7,8-tetrahydroisoquinoline

C10H12IN — CID 139478548

IUPAC7-iodo-8-methyl-5,6,7,8-tetrahydroisoquinoline
SMILESCC1c2cnccc2CCC1I
InChIInChI=1S/C10H12IN/c1-7-9-6-12-5-4-8(9)2-3-10(7)11/h4-7,10H,2-3H2,1H3
InChIKeyNEPCHVSKTHKILN-UHFFFAOYSA-N
MW273.12 g/mol
LogP2.93
Rot. Bonds

About 7-iodo-8-methyl-5,6,7,8-tetrahydroisoquinoline

7-iodo-8-methyl-5,6,7,8-tetrahydroisoquinoline (PubChem CID 139478548) has the molecular formula C10H12IN and a molecular weight of 273.12 g/mol. Its IUPAC name is 7-iodo-8-methyl-5,6,7,8-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-iodo-8-methyl-5,6,7,8-tetrahydroisoquinoline
PubChem CID139478548
Molecular FormulaC10H12IN
Molecular Weight273.12 g/mol
Exact Mass273.00
IUPAC Name7-iodo-8-methyl-5,6,7,8-tetrahydroisoquinoline
SMILESCC1c2cnccc2CCC1I
InChIInChI=1S/C10H12IN/c1-7-9-6-12-5-4-8(9)2-3-10(7)11/h4-7,10H,2-3H2,1H3
InChIKeyNEPCHVSKTHKILN-UHFFFAOYSA-N
XLogP2.93
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.12
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 7-iodo-8-methyl-5,6,7,8-tetrahydroisoquinoline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-iodo-8-methyl-5,6,7,8-tetrahydroisoquinoline?
The IUPAC name of 7-iodo-8-methyl-5,6,7,8-tetrahydroisoquinoline (CID 139478548) is 7-iodo-8-methyl-5,6,7,8-tetrahydroisoquinoline.
What is the SMILES notation for 7-iodo-8-methyl-5,6,7,8-tetrahydroisoquinoline?
The canonical SMILES for 7-iodo-8-methyl-5,6,7,8-tetrahydroisoquinoline is CC1c2cnccc2CCC1I.
What is the InChIKey of 7-iodo-8-methyl-5,6,7,8-tetrahydroisoquinoline?
The InChIKey is NEPCHVSKTHKILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12IN/c1-7-9-6-12-5-4-8(9)2-3-10(7)11/h4-7,10H,2-3H2,1H3.
What are the key properties of 7-iodo-8-methyl-5,6,7,8-tetrahydroisoquinoline?
7-iodo-8-methyl-5,6,7,8-tetrahydroisoquinoline has a molecular weight of 273.12 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-8-methyl-5,6,7,8-tetrahydroisoquinoline is sourced from PubChem (CID 139478548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).