3-iodoprop-1-ene;pyridine

C8H10IN — CID 67041654

IUPAC3-iodoprop-1-ene;pyridine
SMILESC=CCI.c1ccncc1
InChIInChI=1S/C5H5N.C3H5I/c1-2-4-6-5-3-1;1-2-3-4/h1-5H;2H,1,3H2
InChIKeyJASYLHRPDQPWSG-UHFFFAOYSA-N
MW247.08 g/mol
LogP2.69
Rot. Bonds1

About 3-iodoprop-1-ene;pyridine

3-iodoprop-1-ene;pyridine (PubChem CID 67041654) has the molecular formula C8H10IN and a molecular weight of 247.08 g/mol. Its IUPAC name is 3-iodoprop-1-ene;pyridine.

Molecular Properties

Compound Name3-iodoprop-1-ene;pyridine
PubChem CID67041654
Molecular FormulaC8H10IN
Molecular Weight247.08 g/mol
Exact Mass246.99
IUPAC Name3-iodoprop-1-ene;pyridine
SMILESC=CCI.c1ccncc1
InChIInChI=1S/C5H5N.C3H5I/c1-2-4-6-5-3-1;1-2-3-4/h1-5H;2H,1,3H2
InChIKeyJASYLHRPDQPWSG-UHFFFAOYSA-N
XLogP2.69
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.08
LogP ≤ 52.69
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-iodoprop-1-ene;pyridine?
The IUPAC name of 3-iodoprop-1-ene;pyridine (CID 67041654) is 3-iodoprop-1-ene;pyridine.
What is the SMILES notation for 3-iodoprop-1-ene;pyridine?
The canonical SMILES for 3-iodoprop-1-ene;pyridine is C=CCI.c1ccncc1.
What is the InChIKey of 3-iodoprop-1-ene;pyridine?
The InChIKey is JASYLHRPDQPWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.C3H5I/c1-2-4-6-5-3-1;1-2-3-4/h1-5H;2H,1,3H2.
What are the key properties of 3-iodoprop-1-ene;pyridine?
3-iodoprop-1-ene;pyridine has a molecular weight of 247.08 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodoprop-1-ene;pyridine is sourced from PubChem (CID 67041654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).