6-(3-iodophenyl)-2,3,4,5-tetrahydropyridine

C11H12IN — CID 127028296

IUPAC6-(3-iodophenyl)-2,3,4,5-tetrahydropyridine
SMILESIc1cccc(C2=NCCCC2)c1
InChIInChI=1S/C11H12IN/c12-10-5-3-4-9(8-10)11-6-1-2-7-13-11/h3-5,8H,1-2,6-7H2
InChIKeyWWXZQSSSEUIZDN-UHFFFAOYSA-N
MW285.13 g/mol
LogP3.26
Rot. Bonds1

About 6-(3-iodophenyl)-2,3,4,5-tetrahydropyridine

6-(3-iodophenyl)-2,3,4,5-tetrahydropyridine (PubChem CID 127028296) has the molecular formula C11H12IN and a molecular weight of 285.13 g/mol. Its IUPAC name is 6-(3-iodophenyl)-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name6-(3-iodophenyl)-2,3,4,5-tetrahydropyridine
PubChem CID127028296
Molecular FormulaC11H12IN
Molecular Weight285.13 g/mol
Exact Mass285.00
IUPAC Name6-(3-iodophenyl)-2,3,4,5-tetrahydropyridine
SMILESIc1cccc(C2=NCCCC2)c1
InChIInChI=1S/C11H12IN/c12-10-5-3-4-9(8-10)11-6-1-2-7-13-11/h3-5,8H,1-2,6-7H2
InChIKeyWWXZQSSSEUIZDN-UHFFFAOYSA-N
XLogP3.26
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 53.26
H-Bond Donors ≤ 50
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-(3-iodophenyl)-2,3,4,5-tetrahydropyridine?
The IUPAC name of 6-(3-iodophenyl)-2,3,4,5-tetrahydropyridine (CID 127028296) is 6-(3-iodophenyl)-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 6-(3-iodophenyl)-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 6-(3-iodophenyl)-2,3,4,5-tetrahydropyridine is Ic1cccc(C2=NCCCC2)c1.
What is the InChIKey of 6-(3-iodophenyl)-2,3,4,5-tetrahydropyridine?
The InChIKey is WWXZQSSSEUIZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12IN/c12-10-5-3-4-9(8-10)11-6-1-2-7-13-11/h3-5,8H,1-2,6-7H2.
What are the key properties of 6-(3-iodophenyl)-2,3,4,5-tetrahydropyridine?
6-(3-iodophenyl)-2,3,4,5-tetrahydropyridine has a molecular weight of 285.13 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-iodophenyl)-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 127028296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).