3-iodo-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine

C9H10IN — CID 153337604

IUPAC3-iodo-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine
SMILESCc1c(I)ncc2c1CCC2
InChIInChI=1S/C9H10IN/c1-6-8-4-2-3-7(8)5-11-9(6)10/h5H,2-4H2,1H3
InChIKeyWBKOHKARBZOKNS-UHFFFAOYSA-N
MW259.09 g/mol
LogP2.48
Rot. Bonds

About 3-iodo-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine

3-iodo-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine (PubChem CID 153337604) has the molecular formula C9H10IN and a molecular weight of 259.09 g/mol. Its IUPAC name is 3-iodo-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine.

Molecular Properties

Compound Name3-iodo-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine
PubChem CID153337604
Molecular FormulaC9H10IN
Molecular Weight259.09 g/mol
Exact Mass258.99
IUPAC Name3-iodo-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine
SMILESCc1c(I)ncc2c1CCC2
InChIInChI=1S/C9H10IN/c1-6-8-4-2-3-7(8)5-11-9(6)10/h5H,2-4H2,1H3
InChIKeyWBKOHKARBZOKNS-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine?
The IUPAC name of 3-iodo-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine (CID 153337604) is 3-iodo-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine.
What is the SMILES notation for 3-iodo-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine?
The canonical SMILES for 3-iodo-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine is Cc1c(I)ncc2c1CCC2.
What is the InChIKey of 3-iodo-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine?
The InChIKey is WBKOHKARBZOKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10IN/c1-6-8-4-2-3-7(8)5-11-9(6)10/h5H,2-4H2,1H3.
What are the key properties of 3-iodo-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine?
3-iodo-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine has a molecular weight of 259.09 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine is sourced from PubChem (CID 153337604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).