5-iodo-5-methyl-6,7-dihydrocyclopenta[c]pyridine

C9H10IN — CID 162518698

IUPAC5-iodo-5-methyl-6,7-dihydrocyclopenta[c]pyridine
SMILESCC1(I)CCc2cnccc21
InChIInChI=1S/C9H10IN/c1-9(10)4-2-7-6-11-5-3-8(7)9/h3,5-6H,2,4H2,1H3
InChIKeyAVSWMHVJXOIXHR-UHFFFAOYSA-N
MW259.09 g/mol
LogP2.68
Rot. Bonds

About 5-iodo-5-methyl-6,7-dihydrocyclopenta[c]pyridine

5-iodo-5-methyl-6,7-dihydrocyclopenta[c]pyridine (PubChem CID 162518698) has the molecular formula C9H10IN and a molecular weight of 259.09 g/mol. Its IUPAC name is 5-iodo-5-methyl-6,7-dihydrocyclopenta[c]pyridine.

Molecular Properties

Compound Name5-iodo-5-methyl-6,7-dihydrocyclopenta[c]pyridine
PubChem CID162518698
Molecular FormulaC9H10IN
Molecular Weight259.09 g/mol
Exact Mass258.99
IUPAC Name5-iodo-5-methyl-6,7-dihydrocyclopenta[c]pyridine
SMILESCC1(I)CCc2cnccc21
InChIInChI=1S/C9H10IN/c1-9(10)4-2-7-6-11-5-3-8(7)9/h3,5-6H,2,4H2,1H3
InChIKeyAVSWMHVJXOIXHR-UHFFFAOYSA-N
XLogP2.68
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.09
LogP ≤ 52.68
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'}

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-5-methyl-6,7-dihydrocyclopenta[c]pyridine?
The IUPAC name of 5-iodo-5-methyl-6,7-dihydrocyclopenta[c]pyridine (CID 162518698) is 5-iodo-5-methyl-6,7-dihydrocyclopenta[c]pyridine.
What is the SMILES notation for 5-iodo-5-methyl-6,7-dihydrocyclopenta[c]pyridine?
The canonical SMILES for 5-iodo-5-methyl-6,7-dihydrocyclopenta[c]pyridine is CC1(I)CCc2cnccc21.
What is the InChIKey of 5-iodo-5-methyl-6,7-dihydrocyclopenta[c]pyridine?
The InChIKey is AVSWMHVJXOIXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10IN/c1-9(10)4-2-7-6-11-5-3-8(7)9/h3,5-6H,2,4H2,1H3.
What are the key properties of 5-iodo-5-methyl-6,7-dihydrocyclopenta[c]pyridine?
5-iodo-5-methyl-6,7-dihydrocyclopenta[c]pyridine has a molecular weight of 259.09 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-5-methyl-6,7-dihydrocyclopenta[c]pyridine is sourced from PubChem (CID 162518698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).