2-cyclopropyl-5-iodopyridine

C8H8IN — CID 91162875

IUPAC2-cyclopropyl-5-iodopyridine
SMILESIc1ccc(C2CC2)nc1
InChIInChI=1S/C8H8IN/c9-7-3-4-8(10-5-7)6-1-2-6/h3-6H,1-2H2
InChIKeyUOKNOGWGWGTPES-UHFFFAOYSA-N
MW245.06 g/mol
LogP2.56
Rot. Bonds1

About 2-cyclopropyl-5-iodopyridine

2-cyclopropyl-5-iodopyridine (PubChem CID 91162875) has the molecular formula C8H8IN and a molecular weight of 245.06 g/mol. Its IUPAC name is 2-cyclopropyl-5-iodopyridine.

Molecular Properties

Compound Name2-cyclopropyl-5-iodopyridine
PubChem CID91162875
Molecular FormulaC8H8IN
Molecular Weight245.06 g/mol
Exact Mass244.97
IUPAC Name2-cyclopropyl-5-iodopyridine
SMILESIc1ccc(C2CC2)nc1
InChIInChI=1S/C8H8IN/c9-7-3-4-8(10-5-7)6-1-2-6/h3-6H,1-2H2
InChIKeyUOKNOGWGWGTPES-UHFFFAOYSA-N
XLogP2.56
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.06
LogP ≤ 52.56
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-cyclopropyl-5-iodopyridine?
The IUPAC name of 2-cyclopropyl-5-iodopyridine (CID 91162875) is 2-cyclopropyl-5-iodopyridine.
What is the SMILES notation for 2-cyclopropyl-5-iodopyridine?
The canonical SMILES for 2-cyclopropyl-5-iodopyridine is Ic1ccc(C2CC2)nc1.
What is the InChIKey of 2-cyclopropyl-5-iodopyridine?
The InChIKey is UOKNOGWGWGTPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8IN/c9-7-3-4-8(10-5-7)6-1-2-6/h3-6H,1-2H2.
What are the key properties of 2-cyclopropyl-5-iodopyridine?
2-cyclopropyl-5-iodopyridine has a molecular weight of 245.06 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-iodopyridine is sourced from PubChem (CID 91162875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).