3-(3-chloro-1-methylcyclopentyl)-4-methylpyridine

C12H16ClN — CID 116540327

IUPAC3-(3-chloro-1-methylcyclopentyl)-4-methylpyridine
SMILESCc1ccncc1C1(C)CCC(Cl)C1
InChIInChI=1S/C12H16ClN/c1-9-4-6-14-8-11(9)12(2)5-3-10(13)7-12/h4,6,8,10H,3,5,7H2,1-2H3
InChIKeyQOGNCKRAIIXSOZ-UHFFFAOYSA-N
MW209.72 g/mol
LogP3.44
Rot. Bonds1

About 3-(3-chloro-1-methylcyclopentyl)-4-methylpyridine

3-(3-chloro-1-methylcyclopentyl)-4-methylpyridine (PubChem CID 116540327) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is 3-(3-chloro-1-methylcyclopentyl)-4-methylpyridine.

Molecular Properties

Compound Name3-(3-chloro-1-methylcyclopentyl)-4-methylpyridine
PubChem CID116540327
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name3-(3-chloro-1-methylcyclopentyl)-4-methylpyridine
SMILESCc1ccncc1C1(C)CCC(Cl)C1
InChIInChI=1S/C12H16ClN/c1-9-4-6-14-8-11(9)12(2)5-3-10(13)7-12/h4,6,8,10H,3,5,7H2,1-2H3
InChIKeyQOGNCKRAIIXSOZ-UHFFFAOYSA-N
XLogP3.44
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 53.44
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-chloro-1-methylcyclopentyl)-4-methylpyridine?
The IUPAC name of 3-(3-chloro-1-methylcyclopentyl)-4-methylpyridine (CID 116540327) is 3-(3-chloro-1-methylcyclopentyl)-4-methylpyridine.
What is the SMILES notation for 3-(3-chloro-1-methylcyclopentyl)-4-methylpyridine?
The canonical SMILES for 3-(3-chloro-1-methylcyclopentyl)-4-methylpyridine is Cc1ccncc1C1(C)CCC(Cl)C1.
What is the InChIKey of 3-(3-chloro-1-methylcyclopentyl)-4-methylpyridine?
The InChIKey is QOGNCKRAIIXSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN/c1-9-4-6-14-8-11(9)12(2)5-3-10(13)7-12/h4,6,8,10H,3,5,7H2,1-2H3.
What are the key properties of 3-(3-chloro-1-methylcyclopentyl)-4-methylpyridine?
3-(3-chloro-1-methylcyclopentyl)-4-methylpyridine has a molecular weight of 209.72 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-1-methylcyclopentyl)-4-methylpyridine is sourced from PubChem (CID 116540327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).