2-(2-chloro-2-cyclopropylethyl)-6-methylpyridine

C11H14ClN — CID 63352873

IUPAC2-(2-chloro-2-cyclopropylethyl)-6-methylpyridine
SMILESCc1cccc(CC(Cl)C2CC2)n1
InChIInChI=1S/C11H14ClN/c1-8-3-2-4-10(13-8)7-11(12)9-5-6-9/h2-4,9,11H,5-7H2,1H3
InChIKeyFYQJQKGDPBDGHL-UHFFFAOYSA-N
MW195.69 g/mol
LogP2.95
Rot. Bonds3

About 2-(2-chloro-2-cyclopropylethyl)-6-methylpyridine

2-(2-chloro-2-cyclopropylethyl)-6-methylpyridine (PubChem CID 63352873) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is 2-(2-chloro-2-cyclopropylethyl)-6-methylpyridine.

Molecular Properties

Compound Name2-(2-chloro-2-cyclopropylethyl)-6-methylpyridine
PubChem CID63352873
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Name2-(2-chloro-2-cyclopropylethyl)-6-methylpyridine
SMILESCc1cccc(CC(Cl)C2CC2)n1
InChIInChI=1S/C11H14ClN/c1-8-3-2-4-10(13-8)7-11(12)9-5-6-9/h2-4,9,11H,5-7H2,1H3
InChIKeyFYQJQKGDPBDGHL-UHFFFAOYSA-N
XLogP2.95
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(2-chloro-2-cyclopropylethyl)-6-methylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-2-cyclopropylethyl)-6-methylpyridine?
The IUPAC name of 2-(2-chloro-2-cyclopropylethyl)-6-methylpyridine (CID 63352873) is 2-(2-chloro-2-cyclopropylethyl)-6-methylpyridine.
What is the SMILES notation for 2-(2-chloro-2-cyclopropylethyl)-6-methylpyridine?
The canonical SMILES for 2-(2-chloro-2-cyclopropylethyl)-6-methylpyridine is Cc1cccc(CC(Cl)C2CC2)n1.
What is the InChIKey of 2-(2-chloro-2-cyclopropylethyl)-6-methylpyridine?
The InChIKey is FYQJQKGDPBDGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN/c1-8-3-2-4-10(13-8)7-11(12)9-5-6-9/h2-4,9,11H,5-7H2,1H3.
What are the key properties of 2-(2-chloro-2-cyclopropylethyl)-6-methylpyridine?
2-(2-chloro-2-cyclopropylethyl)-6-methylpyridine has a molecular weight of 195.69 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-2-cyclopropylethyl)-6-methylpyridine is sourced from PubChem (CID 63352873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).