5-(2-chlorocycloheptyl)-2-methylpyridine

C13H18ClN — CID 63156025

IUPAC5-(2-chlorocycloheptyl)-2-methylpyridine
SMILESCc1ccc(C2CCCCCC2Cl)cn1
InChIInChI=1S/C13H18ClN/c1-10-7-8-11(9-15-10)12-5-3-2-4-6-13(12)14/h7-9,12-13H,2-6H2,1H3
InChIKeyINODJNKETOPNTM-UHFFFAOYSA-N
MW223.75 g/mol
LogP4.05
Rot. Bonds1

About 5-(2-chlorocycloheptyl)-2-methylpyridine

5-(2-chlorocycloheptyl)-2-methylpyridine (PubChem CID 63156025) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is 5-(2-chlorocycloheptyl)-2-methylpyridine.

Molecular Properties

Compound Name5-(2-chlorocycloheptyl)-2-methylpyridine
PubChem CID63156025
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name5-(2-chlorocycloheptyl)-2-methylpyridine
SMILESCc1ccc(C2CCCCCC2Cl)cn1
InChIInChI=1S/C13H18ClN/c1-10-7-8-11(9-15-10)12-5-3-2-4-6-13(12)14/h7-9,12-13H,2-6H2,1H3
InChIKeyINODJNKETOPNTM-UHFFFAOYSA-N
XLogP4.05
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 54.05
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 5-(2-chlorocycloheptyl)-2-methylpyridine?
The IUPAC name of 5-(2-chlorocycloheptyl)-2-methylpyridine (CID 63156025) is 5-(2-chlorocycloheptyl)-2-methylpyridine.
What is the SMILES notation for 5-(2-chlorocycloheptyl)-2-methylpyridine?
The canonical SMILES for 5-(2-chlorocycloheptyl)-2-methylpyridine is Cc1ccc(C2CCCCCC2Cl)cn1.
What is the InChIKey of 5-(2-chlorocycloheptyl)-2-methylpyridine?
The InChIKey is INODJNKETOPNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN/c1-10-7-8-11(9-15-10)12-5-3-2-4-6-13(12)14/h7-9,12-13H,2-6H2,1H3.
What are the key properties of 5-(2-chlorocycloheptyl)-2-methylpyridine?
5-(2-chlorocycloheptyl)-2-methylpyridine has a molecular weight of 223.75 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorocycloheptyl)-2-methylpyridine is sourced from PubChem (CID 63156025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).