2-chloro-6-(prop-2-enoxymethyl)pyridine

C9H10ClNO — CID 79243587

IUPAC2-chloro-6-(prop-2-enoxymethyl)pyridine
SMILESC=CCOCc1cccc(Cl)n1
InChIInChI=1S/C9H10ClNO/c1-2-6-12-7-8-4-3-5-9(10)11-8/h2-5H,1,6-7H2
InChIKeyZOEZAEIUJRSISH-UHFFFAOYSA-N
MW183.64 g/mol
LogP2.44
Rot. Bonds4

About 2-chloro-6-(prop-2-enoxymethyl)pyridine

2-chloro-6-(prop-2-enoxymethyl)pyridine (PubChem CID 79243587) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is 2-chloro-6-(prop-2-enoxymethyl)pyridine.

Molecular Properties

Compound Name2-chloro-6-(prop-2-enoxymethyl)pyridine
PubChem CID79243587
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name2-chloro-6-(prop-2-enoxymethyl)pyridine
SMILESC=CCOCc1cccc(Cl)n1
InChIInChI=1S/C9H10ClNO/c1-2-6-12-7-8-4-3-5-9(10)11-8/h2-5H,1,6-7H2
InChIKeyZOEZAEIUJRSISH-UHFFFAOYSA-N
XLogP2.44
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-chloro-6-(prop-2-enoxymethyl)pyridine 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-chloro-6-(prop-2-enoxymethyl)pyridine?
The IUPAC name of 2-chloro-6-(prop-2-enoxymethyl)pyridine (CID 79243587) is 2-chloro-6-(prop-2-enoxymethyl)pyridine.
What is the SMILES notation for 2-chloro-6-(prop-2-enoxymethyl)pyridine?
The canonical SMILES for 2-chloro-6-(prop-2-enoxymethyl)pyridine is C=CCOCc1cccc(Cl)n1.
What is the InChIKey of 2-chloro-6-(prop-2-enoxymethyl)pyridine?
The InChIKey is ZOEZAEIUJRSISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO/c1-2-6-12-7-8-4-3-5-9(10)11-8/h2-5H,1,6-7H2.
What are the key properties of 2-chloro-6-(prop-2-enoxymethyl)pyridine?
2-chloro-6-(prop-2-enoxymethyl)pyridine has a molecular weight of 183.64 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(prop-2-enoxymethyl)pyridine is sourced from PubChem (CID 79243587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).