2-(but-3-enoxymethyl)-3,6-dichloropyridine

C10H11Cl2NO — CID 62887557

IUPAC2-(but-3-enoxymethyl)-3,6-dichloropyridine
SMILESC=CCCOCc1nc(Cl)ccc1Cl
InChIInChI=1S/C10H11Cl2NO/c1-2-3-6-14-7-9-8(11)4-5-10(12)13-9/h2,4-5H,1,3,6-7H2
InChIKeyINTJOZAUGAXDBZ-UHFFFAOYSA-N
MW232.11 g/mol
LogP3.48
Rot. Bonds5

About 2-(but-3-enoxymethyl)-3,6-dichloropyridine

2-(but-3-enoxymethyl)-3,6-dichloropyridine (PubChem CID 62887557) has the molecular formula C10H11Cl2NO and a molecular weight of 232.11 g/mol. Its IUPAC name is 2-(but-3-enoxymethyl)-3,6-dichloropyridine.

Molecular Properties

Compound Name2-(but-3-enoxymethyl)-3,6-dichloropyridine
PubChem CID62887557
Molecular FormulaC10H11Cl2NO
Molecular Weight232.11 g/mol
Exact Mass231.02
IUPAC Name2-(but-3-enoxymethyl)-3,6-dichloropyridine
SMILESC=CCCOCc1nc(Cl)ccc1Cl
InChIInChI=1S/C10H11Cl2NO/c1-2-3-6-14-7-9-8(11)4-5-10(12)13-9/h2,4-5H,1,3,6-7H2
InChIKeyINTJOZAUGAXDBZ-UHFFFAOYSA-N
XLogP3.48
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 53.48
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(but-3-enoxymethyl)-3,6-dichloropyridine?
The IUPAC name of 2-(but-3-enoxymethyl)-3,6-dichloropyridine (CID 62887557) is 2-(but-3-enoxymethyl)-3,6-dichloropyridine.
What is the SMILES notation for 2-(but-3-enoxymethyl)-3,6-dichloropyridine?
The canonical SMILES for 2-(but-3-enoxymethyl)-3,6-dichloropyridine is C=CCCOCc1nc(Cl)ccc1Cl.
What is the InChIKey of 2-(but-3-enoxymethyl)-3,6-dichloropyridine?
The InChIKey is INTJOZAUGAXDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO/c1-2-3-6-14-7-9-8(11)4-5-10(12)13-9/h2,4-5H,1,3,6-7H2.
What are the key properties of 2-(but-3-enoxymethyl)-3,6-dichloropyridine?
2-(but-3-enoxymethyl)-3,6-dichloropyridine has a molecular weight of 232.11 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(but-3-enoxymethyl)-3,6-dichloropyridine is sourced from PubChem (CID 62887557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).