2,6-dichloro-3-(furan-2-ylmethoxymethyl)pyridine

C11H9Cl2NO2 — CID 106994337

IUPAC2,6-dichloro-3-(furan-2-ylmethoxymethyl)pyridine
SMILESClc1ccc(COCc2ccco2)c(Cl)n1
InChIInChI=1S/C11H9Cl2NO2/c12-10-4-3-8(11(13)14-10)6-15-7-9-2-1-5-16-9/h1-5H,6-7H2
InChIKeyQPQUAJHVTQQQPS-UHFFFAOYSA-N
MW258.10 g/mol
LogP3.70
Rot. Bonds4

About 2,6-dichloro-3-(furan-2-ylmethoxymethyl)pyridine

2,6-dichloro-3-(furan-2-ylmethoxymethyl)pyridine (PubChem CID 106994337) has the molecular formula C11H9Cl2NO2 and a molecular weight of 258.10 g/mol. Its IUPAC name is 2,6-dichloro-3-(furan-2-ylmethoxymethyl)pyridine.

Molecular Properties

Compound Name2,6-dichloro-3-(furan-2-ylmethoxymethyl)pyridine
PubChem CID106994337
Molecular FormulaC11H9Cl2NO2
Molecular Weight258.10 g/mol
Exact Mass257.00
IUPAC Name2,6-dichloro-3-(furan-2-ylmethoxymethyl)pyridine
SMILESClc1ccc(COCc2ccco2)c(Cl)n1
InChIInChI=1S/C11H9Cl2NO2/c12-10-4-3-8(11(13)14-10)6-15-7-9-2-1-5-16-9/h1-5H,6-7H2
InChIKeyQPQUAJHVTQQQPS-UHFFFAOYSA-N
XLogP3.70
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.10
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-(furan-2-ylmethoxymethyl)pyridine?
The IUPAC name of 2,6-dichloro-3-(furan-2-ylmethoxymethyl)pyridine (CID 106994337) is 2,6-dichloro-3-(furan-2-ylmethoxymethyl)pyridine.
What is the SMILES notation for 2,6-dichloro-3-(furan-2-ylmethoxymethyl)pyridine?
The canonical SMILES for 2,6-dichloro-3-(furan-2-ylmethoxymethyl)pyridine is Clc1ccc(COCc2ccco2)c(Cl)n1.
What is the InChIKey of 2,6-dichloro-3-(furan-2-ylmethoxymethyl)pyridine?
The InChIKey is QPQUAJHVTQQQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NO2/c12-10-4-3-8(11(13)14-10)6-15-7-9-2-1-5-16-9/h1-5H,6-7H2.
What are the key properties of 2,6-dichloro-3-(furan-2-ylmethoxymethyl)pyridine?
2,6-dichloro-3-(furan-2-ylmethoxymethyl)pyridine has a molecular weight of 258.10 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-(furan-2-ylmethoxymethyl)pyridine is sourced from PubChem (CID 106994337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).