2,3-dihydropyridine-5-carbonyl iodide

C6H6INO — CID 129215914

IUPAC2,3-dihydropyridine-5-carbonyl iodide
SMILESO=C(I)C1=CCCN=C1
InChIInChI=1S/C6H6INO/c7-6(9)5-2-1-3-8-4-5/h2,4H,1,3H2
InChIKeyYSTZLQUTORZPAV-UHFFFAOYSA-N
MW235.02 g/mol
LogP1.35
Rot. Bonds1

About 2,3-dihydropyridine-5-carbonyl iodide

2,3-dihydropyridine-5-carbonyl iodide (PubChem CID 129215914) has the molecular formula C6H6INO and a molecular weight of 235.02 g/mol. Its IUPAC name is 2,3-dihydropyridine-5-carbonyl iodide.

Molecular Properties

Compound Name2,3-dihydropyridine-5-carbonyl iodide
PubChem CID129215914
Molecular FormulaC6H6INO
Molecular Weight235.02 g/mol
Exact Mass234.95
IUPAC Name2,3-dihydropyridine-5-carbonyl iodide
SMILESO=C(I)C1=CCCN=C1
InChIInChI=1S/C6H6INO/c7-6(9)5-2-1-3-8-4-5/h2,4H,1,3H2
InChIKeyYSTZLQUTORZPAV-UHFFFAOYSA-N
XLogP1.35
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.02
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,3-dihydropyridine-5-carbonyl iodide 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 2,3-dihydropyridine-5-carbonyl iodide?
The IUPAC name of 2,3-dihydropyridine-5-carbonyl iodide (CID 129215914) is 2,3-dihydropyridine-5-carbonyl iodide.
What is the SMILES notation for 2,3-dihydropyridine-5-carbonyl iodide?
The canonical SMILES for 2,3-dihydropyridine-5-carbonyl iodide is O=C(I)C1=CCCN=C1.
What is the InChIKey of 2,3-dihydropyridine-5-carbonyl iodide?
The InChIKey is YSTZLQUTORZPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6INO/c7-6(9)5-2-1-3-8-4-5/h2,4H,1,3H2.
What are the key properties of 2,3-dihydropyridine-5-carbonyl iodide?
2,3-dihydropyridine-5-carbonyl iodide has a molecular weight of 235.02 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydropyridine-5-carbonyl iodide is sourced from PubChem (CID 129215914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).