4-iodo-3,4-dihydropyridine

C5H6IN — CID 70669078

IUPAC4-iodo-3,4-dihydropyridine
SMILESIC1C=CN=CC1
InChIInChI=1S/C5H6IN/c6-5-1-3-7-4-2-5/h1,3-5H,2H2
InChIKeyBEWBIRHLMSESEA-UHFFFAOYSA-N
MW207.01 g/mol
LogP1.78
Rot. Bonds

About 4-iodo-3,4-dihydropyridine

4-iodo-3,4-dihydropyridine (PubChem CID 70669078) has the molecular formula C5H6IN and a molecular weight of 207.01 g/mol. Its IUPAC name is 4-iodo-3,4-dihydropyridine.

Molecular Properties

Compound Name4-iodo-3,4-dihydropyridine
PubChem CID70669078
Molecular FormulaC5H6IN
Molecular Weight207.01 g/mol
Exact Mass206.95
IUPAC Name4-iodo-3,4-dihydropyridine
SMILESIC1C=CN=CC1
InChIInChI=1S/C5H6IN/c6-5-1-3-7-4-2-5/h1,3-5H,2H2
InChIKeyBEWBIRHLMSESEA-UHFFFAOYSA-N
XLogP1.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.01
LogP ≤ 51.78
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 4-iodo-3,4-dihydropyridine 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 4-iodo-3,4-dihydropyridine?
The IUPAC name of 4-iodo-3,4-dihydropyridine (CID 70669078) is 4-iodo-3,4-dihydropyridine.
What is the SMILES notation for 4-iodo-3,4-dihydropyridine?
The canonical SMILES for 4-iodo-3,4-dihydropyridine is IC1C=CN=CC1.
What is the InChIKey of 4-iodo-3,4-dihydropyridine?
The InChIKey is BEWBIRHLMSESEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6IN/c6-5-1-3-7-4-2-5/h1,3-5H,2H2.
What are the key properties of 4-iodo-3,4-dihydropyridine?
4-iodo-3,4-dihydropyridine has a molecular weight of 207.01 g/mol, XLogP of 1.78, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-3,4-dihydropyridine is sourced from PubChem (CID 70669078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).