1-(2-chlorocyclohexyl)pyridin-1-ium

C11H15ClN+ — CID 4251886

IUPAC1-(2-chlorocyclohexyl)pyridin-1-ium
SMILESClC1CCCCC1[n+]1ccccc1
InChIInChI=1S/C11H15ClN/c12-10-6-2-3-7-11(10)13-8-4-1-5-9-13/h1,4-5,8-11H,2-3,6-7H2/q+1
InChIKeyINGPXRYDWKQISX-UHFFFAOYSA-N
MW196.70 g/mol
LogP2.70
Rot. Bonds1

About 1-(2-chlorocyclohexyl)pyridin-1-ium

1-(2-chlorocyclohexyl)pyridin-1-ium (PubChem CID 4251886) has the molecular formula C11H15ClN+ and a molecular weight of 196.70 g/mol. Its IUPAC name is 1-(2-chlorocyclohexyl)pyridin-1-ium.

Molecular Properties

Compound Name1-(2-chlorocyclohexyl)pyridin-1-ium
PubChem CID4251886
Molecular FormulaC11H15ClN+
Molecular Weight196.70 g/mol
Exact Mass196.09
IUPAC Name1-(2-chlorocyclohexyl)pyridin-1-ium
SMILESClC1CCCCC1[n+]1ccccc1
InChIInChI=1S/C11H15ClN/c12-10-6-2-3-7-11(10)13-8-4-1-5-9-13/h1,4-5,8-11H,2-3,6-7H2/q+1
InChIKeyINGPXRYDWKQISX-UHFFFAOYSA-N
XLogP2.70
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.70
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorocyclohexyl)pyridin-1-ium?
The IUPAC name of 1-(2-chlorocyclohexyl)pyridin-1-ium (CID 4251886) is 1-(2-chlorocyclohexyl)pyridin-1-ium.
What is the SMILES notation for 1-(2-chlorocyclohexyl)pyridin-1-ium?
The canonical SMILES for 1-(2-chlorocyclohexyl)pyridin-1-ium is ClC1CCCCC1[n+]1ccccc1.
What is the InChIKey of 1-(2-chlorocyclohexyl)pyridin-1-ium?
The InChIKey is INGPXRYDWKQISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN/c12-10-6-2-3-7-11(10)13-8-4-1-5-9-13/h1,4-5,8-11H,2-3,6-7H2/q+1.
What are the key properties of 1-(2-chlorocyclohexyl)pyridin-1-ium?
1-(2-chlorocyclohexyl)pyridin-1-ium has a molecular weight of 196.70 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorocyclohexyl)pyridin-1-ium is sourced from PubChem (CID 4251886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).