3,6-dichloro-2-(oxan-4-ylmethoxymethyl)pyridine

C12H15Cl2NO2 — CID 62885970

IUPAC3,6-dichloro-2-(oxan-4-ylmethoxymethyl)pyridine
SMILESClc1ccc(Cl)c(COCC2CCOCC2)n1
InChIInChI=1S/C12H15Cl2NO2/c13-10-1-2-12(14)15-11(10)8-17-7-9-3-5-16-6-4-9/h1-2,9H,3-8H2
InChIKeyKXLZRHBQBJLCPA-UHFFFAOYSA-N
MW276.16 g/mol
LogP3.33
Rot. Bonds4

About 3,6-dichloro-2-(oxan-4-ylmethoxymethyl)pyridine

3,6-dichloro-2-(oxan-4-ylmethoxymethyl)pyridine (PubChem CID 62885970) has the molecular formula C12H15Cl2NO2 and a molecular weight of 276.16 g/mol. Its IUPAC name is 3,6-dichloro-2-(oxan-4-ylmethoxymethyl)pyridine.

Molecular Properties

Compound Name3,6-dichloro-2-(oxan-4-ylmethoxymethyl)pyridine
PubChem CID62885970
Molecular FormulaC12H15Cl2NO2
Molecular Weight276.16 g/mol
Exact Mass275.05
IUPAC Name3,6-dichloro-2-(oxan-4-ylmethoxymethyl)pyridine
SMILESClc1ccc(Cl)c(COCC2CCOCC2)n1
InChIInChI=1S/C12H15Cl2NO2/c13-10-1-2-12(14)15-11(10)8-17-7-9-3-5-16-6-4-9/h1-2,9H,3-8H2
InChIKeyKXLZRHBQBJLCPA-UHFFFAOYSA-N
XLogP3.33
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 53.33
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 3,6-dichloro-2-(oxan-4-ylmethoxymethyl)pyridine?
The IUPAC name of 3,6-dichloro-2-(oxan-4-ylmethoxymethyl)pyridine (CID 62885970) is 3,6-dichloro-2-(oxan-4-ylmethoxymethyl)pyridine.
What is the SMILES notation for 3,6-dichloro-2-(oxan-4-ylmethoxymethyl)pyridine?
The canonical SMILES for 3,6-dichloro-2-(oxan-4-ylmethoxymethyl)pyridine is Clc1ccc(Cl)c(COCC2CCOCC2)n1.
What is the InChIKey of 3,6-dichloro-2-(oxan-4-ylmethoxymethyl)pyridine?
The InChIKey is KXLZRHBQBJLCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO2/c13-10-1-2-12(14)15-11(10)8-17-7-9-3-5-16-6-4-9/h1-2,9H,3-8H2.
What are the key properties of 3,6-dichloro-2-(oxan-4-ylmethoxymethyl)pyridine?
3,6-dichloro-2-(oxan-4-ylmethoxymethyl)pyridine has a molecular weight of 276.16 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-2-(oxan-4-ylmethoxymethyl)pyridine is sourced from PubChem (CID 62885970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).