2-iodo-3,4-dihydropyridine

C5H6IN — CID 70927776

IUPAC2-iodo-3,4-dihydropyridine
SMILESIC1=NC=CCC1
InChIInChI=1S/C5H6IN/c6-5-3-1-2-4-7-5/h2,4H,1,3H2
InChIKeyHIXRVNKULLRURK-UHFFFAOYSA-N
MW207.01 g/mol
LogP2.13
Rot. Bonds

About 2-iodo-3,4-dihydropyridine

2-iodo-3,4-dihydropyridine (PubChem CID 70927776) has the molecular formula C5H6IN and a molecular weight of 207.01 g/mol. Its IUPAC name is 2-iodo-3,4-dihydropyridine.

Molecular Properties

Compound Name2-iodo-3,4-dihydropyridine
PubChem CID70927776
Molecular FormulaC5H6IN
Molecular Weight207.01 g/mol
Exact Mass206.95
IUPAC Name2-iodo-3,4-dihydropyridine
SMILESIC1=NC=CCC1
InChIInChI=1S/C5H6IN/c6-5-3-1-2-4-7-5/h2,4H,1,3H2
InChIKeyHIXRVNKULLRURK-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
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 2-iodo-3,4-dihydropyridine?
The IUPAC name of 2-iodo-3,4-dihydropyridine (CID 70927776) is 2-iodo-3,4-dihydropyridine.
What is the SMILES notation for 2-iodo-3,4-dihydropyridine?
The canonical SMILES for 2-iodo-3,4-dihydropyridine is IC1=NC=CCC1.
What is the InChIKey of 2-iodo-3,4-dihydropyridine?
The InChIKey is HIXRVNKULLRURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6IN/c6-5-3-1-2-4-7-5/h2,4H,1,3H2.
What are the key properties of 2-iodo-3,4-dihydropyridine?
2-iodo-3,4-dihydropyridine has a molecular weight of 207.01 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-3,4-dihydropyridine is sourced from PubChem (CID 70927776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).