6-iodo-1,2,3,4-tetrahydroisoquinoline

C9H10IN — CID 57364263

IUPAC6-iodo-1,2,3,4-tetrahydroisoquinoline
SMILESIc1ccc2c(c1)CCNC2
InChIInChI=1S/C9H10IN/c10-9-2-1-8-6-11-4-3-7(8)5-9/h1-2,5,11H,3-4,6H2
InChIKeySNDQNGCYGQWMEN-UHFFFAOYSA-N
MW259.09 g/mol
LogP1.94
Rot. Bonds

About 6-iodo-1,2,3,4-tetrahydroisoquinoline

6-iodo-1,2,3,4-tetrahydroisoquinoline (PubChem CID 57364263) has the molecular formula C9H10IN and a molecular weight of 259.09 g/mol. Its IUPAC name is 6-iodo-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name6-iodo-1,2,3,4-tetrahydroisoquinoline
PubChem CID57364263
Molecular FormulaC9H10IN
Molecular Weight259.09 g/mol
Exact Mass258.99
IUPAC Name6-iodo-1,2,3,4-tetrahydroisoquinoline
SMILESIc1ccc2c(c1)CCNC2
InChIInChI=1S/C9H10IN/c10-9-2-1-8-6-11-4-3-7(8)5-9/h1-2,5,11H,3-4,6H2
InChIKeySNDQNGCYGQWMEN-UHFFFAOYSA-N
XLogP1.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.09
LogP ≤ 51.94
H-Bond Donors ≤ 51
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 6-iodo-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 6-iodo-1,2,3,4-tetrahydroisoquinoline (CID 57364263) is 6-iodo-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 6-iodo-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 6-iodo-1,2,3,4-tetrahydroisoquinoline is Ic1ccc2c(c1)CCNC2.
What is the InChIKey of 6-iodo-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is SNDQNGCYGQWMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10IN/c10-9-2-1-8-6-11-4-3-7(8)5-9/h1-2,5,11H,3-4,6H2.
What are the key properties of 6-iodo-1,2,3,4-tetrahydroisoquinoline?
6-iodo-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 259.09 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 57364263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).