2,6-dichloro-3-(1-ethoxypropan-2-yloxymethyl)pyridine

C11H15Cl2NO2 — CID 106994675

IUPAC2,6-dichloro-3-(1-ethoxypropan-2-yloxymethyl)pyridine
SMILESCCOCC(C)OCc1ccc(Cl)nc1Cl
InChIInChI=1S/C11H15Cl2NO2/c1-3-15-6-8(2)16-7-9-4-5-10(12)14-11(9)13/h4-5,8H,3,6-7H2,1-2H3
InChIKeyBUHSNOHOEGDENB-UHFFFAOYSA-N
MW264.15 g/mol
LogP3.33
Rot. Bonds6

About 2,6-dichloro-3-(1-ethoxypropan-2-yloxymethyl)pyridine

2,6-dichloro-3-(1-ethoxypropan-2-yloxymethyl)pyridine (PubChem CID 106994675) has the molecular formula C11H15Cl2NO2 and a molecular weight of 264.15 g/mol. Its IUPAC name is 2,6-dichloro-3-(1-ethoxypropan-2-yloxymethyl)pyridine.

Molecular Properties

Compound Name2,6-dichloro-3-(1-ethoxypropan-2-yloxymethyl)pyridine
PubChem CID106994675
Molecular FormulaC11H15Cl2NO2
Molecular Weight264.15 g/mol
Exact Mass263.05
IUPAC Name2,6-dichloro-3-(1-ethoxypropan-2-yloxymethyl)pyridine
SMILESCCOCC(C)OCc1ccc(Cl)nc1Cl
InChIInChI=1S/C11H15Cl2NO2/c1-3-15-6-8(2)16-7-9-4-5-10(12)14-11(9)13/h4-5,8H,3,6-7H2,1-2H3
InChIKeyBUHSNOHOEGDENB-UHFFFAOYSA-N
XLogP3.33
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
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 2,6-dichloro-3-(1-ethoxypropan-2-yloxymethyl)pyridine?
The IUPAC name of 2,6-dichloro-3-(1-ethoxypropan-2-yloxymethyl)pyridine (CID 106994675) is 2,6-dichloro-3-(1-ethoxypropan-2-yloxymethyl)pyridine.
What is the SMILES notation for 2,6-dichloro-3-(1-ethoxypropan-2-yloxymethyl)pyridine?
The canonical SMILES for 2,6-dichloro-3-(1-ethoxypropan-2-yloxymethyl)pyridine is CCOCC(C)OCc1ccc(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloro-3-(1-ethoxypropan-2-yloxymethyl)pyridine?
The InChIKey is BUHSNOHOEGDENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO2/c1-3-15-6-8(2)16-7-9-4-5-10(12)14-11(9)13/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of 2,6-dichloro-3-(1-ethoxypropan-2-yloxymethyl)pyridine?
2,6-dichloro-3-(1-ethoxypropan-2-yloxymethyl)pyridine has a molecular weight of 264.15 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-(1-ethoxypropan-2-yloxymethyl)pyridine is sourced from PubChem (CID 106994675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).