3-(4-iodophenyl)-1-methyl-3,6-dihydro-2H-pyridine

C12H14IN — CID 155085416

IUPAC3-(4-iodophenyl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCN1CC=CC(c2ccc(I)cc2)C1
InChIInChI=1S/C12H14IN/c1-14-8-2-3-11(9-14)10-4-6-12(13)7-5-10/h2-7,11H,8-9H2,1H3
InChIKeyQKIOOCADYUCAAI-UHFFFAOYSA-N
MW299.16 g/mol
LogP2.88
Rot. Bonds1

About 3-(4-iodophenyl)-1-methyl-3,6-dihydro-2H-pyridine

3-(4-iodophenyl)-1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 155085416) has the molecular formula C12H14IN and a molecular weight of 299.16 g/mol. Its IUPAC name is 3-(4-iodophenyl)-1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name3-(4-iodophenyl)-1-methyl-3,6-dihydro-2H-pyridine
PubChem CID155085416
Molecular FormulaC12H14IN
Molecular Weight299.16 g/mol
Exact Mass299.02
IUPAC Name3-(4-iodophenyl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCN1CC=CC(c2ccc(I)cc2)C1
InChIInChI=1S/C12H14IN/c1-14-8-2-3-11(9-14)10-4-6-12(13)7-5-10/h2-7,11H,8-9H2,1H3
InChIKeyQKIOOCADYUCAAI-UHFFFAOYSA-N
XLogP2.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-iodophenyl)-1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 3-(4-iodophenyl)-1-methyl-3,6-dihydro-2H-pyridine (CID 155085416) is 3-(4-iodophenyl)-1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 3-(4-iodophenyl)-1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 3-(4-iodophenyl)-1-methyl-3,6-dihydro-2H-pyridine is CN1CC=CC(c2ccc(I)cc2)C1.
What is the InChIKey of 3-(4-iodophenyl)-1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is QKIOOCADYUCAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14IN/c1-14-8-2-3-11(9-14)10-4-6-12(13)7-5-10/h2-7,11H,8-9H2,1H3.
What are the key properties of 3-(4-iodophenyl)-1-methyl-3,6-dihydro-2H-pyridine?
3-(4-iodophenyl)-1-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 299.16 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-iodophenyl)-1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 155085416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).