3-(3-chlorocyclopenten-1-yl)-4-methylpyridine

C11H12ClN — CID 66273391

IUPAC3-(3-chlorocyclopenten-1-yl)-4-methylpyridine
SMILESCc1ccncc1C1=CC(Cl)CC1
InChIInChI=1S/C11H12ClN/c1-8-4-5-13-7-11(8)9-2-3-10(12)6-9/h4-7,10H,2-3H2,1H3
InChIKeyPKZYSKJBHLUZEC-UHFFFAOYSA-N
MW193.68 g/mol
LogP3.17
Rot. Bonds1

About 3-(3-chlorocyclopenten-1-yl)-4-methylpyridine

3-(3-chlorocyclopenten-1-yl)-4-methylpyridine (PubChem CID 66273391) has the molecular formula C11H12ClN and a molecular weight of 193.68 g/mol. Its IUPAC name is 3-(3-chlorocyclopenten-1-yl)-4-methylpyridine.

Molecular Properties

Compound Name3-(3-chlorocyclopenten-1-yl)-4-methylpyridine
PubChem CID66273391
Molecular FormulaC11H12ClN
Molecular Weight193.68 g/mol
Exact Mass193.07
IUPAC Name3-(3-chlorocyclopenten-1-yl)-4-methylpyridine
SMILESCc1ccncc1C1=CC(Cl)CC1
InChIInChI=1S/C11H12ClN/c1-8-4-5-13-7-11(8)9-2-3-10(12)6-9/h4-7,10H,2-3H2,1H3
InChIKeyPKZYSKJBHLUZEC-UHFFFAOYSA-N
XLogP3.17
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.68
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorocyclopenten-1-yl)-4-methylpyridine?
The IUPAC name of 3-(3-chlorocyclopenten-1-yl)-4-methylpyridine (CID 66273391) is 3-(3-chlorocyclopenten-1-yl)-4-methylpyridine.
What is the SMILES notation for 3-(3-chlorocyclopenten-1-yl)-4-methylpyridine?
The canonical SMILES for 3-(3-chlorocyclopenten-1-yl)-4-methylpyridine is Cc1ccncc1C1=CC(Cl)CC1.
What is the InChIKey of 3-(3-chlorocyclopenten-1-yl)-4-methylpyridine?
The InChIKey is PKZYSKJBHLUZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN/c1-8-4-5-13-7-11(8)9-2-3-10(12)6-9/h4-7,10H,2-3H2,1H3.
What are the key properties of 3-(3-chlorocyclopenten-1-yl)-4-methylpyridine?
3-(3-chlorocyclopenten-1-yl)-4-methylpyridine has a molecular weight of 193.68 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorocyclopenten-1-yl)-4-methylpyridine is sourced from PubChem (CID 66273391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).