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

C10H13Cl2NO2 — CID 106994598

IUPAC2,6-dichloro-3-(1-methoxypropan-2-yloxymethyl)pyridine
SMILESCOCC(C)OCc1ccc(Cl)nc1Cl
InChIInChI=1S/C10H13Cl2NO2/c1-7(5-14-2)15-6-8-3-4-9(11)13-10(8)12/h3-4,7H,5-6H2,1-2H3
InChIKeyPZAIAZWEIDYKAG-UHFFFAOYSA-N
MW250.12 g/mol
LogP2.94
Rot. Bonds5

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

2,6-dichloro-3-(1-methoxypropan-2-yloxymethyl)pyridine (PubChem CID 106994598) has the molecular formula C10H13Cl2NO2 and a molecular weight of 250.12 g/mol. Its IUPAC name is 2,6-dichloro-3-(1-methoxypropan-2-yloxymethyl)pyridine.

Molecular Properties

Compound Name2,6-dichloro-3-(1-methoxypropan-2-yloxymethyl)pyridine
PubChem CID106994598
Molecular FormulaC10H13Cl2NO2
Molecular Weight250.12 g/mol
Exact Mass249.03
IUPAC Name2,6-dichloro-3-(1-methoxypropan-2-yloxymethyl)pyridine
SMILESCOCC(C)OCc1ccc(Cl)nc1Cl
InChIInChI=1S/C10H13Cl2NO2/c1-7(5-14-2)15-6-8-3-4-9(11)13-10(8)12/h3-4,7H,5-6H2,1-2H3
InChIKeyPZAIAZWEIDYKAG-UHFFFAOYSA-N
XLogP2.94
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.12
LogP ≤ 52.94
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-methoxypropan-2-yloxymethyl)pyridine?
The IUPAC name of 2,6-dichloro-3-(1-methoxypropan-2-yloxymethyl)pyridine (CID 106994598) is 2,6-dichloro-3-(1-methoxypropan-2-yloxymethyl)pyridine.
What is the SMILES notation for 2,6-dichloro-3-(1-methoxypropan-2-yloxymethyl)pyridine?
The canonical SMILES for 2,6-dichloro-3-(1-methoxypropan-2-yloxymethyl)pyridine is COCC(C)OCc1ccc(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloro-3-(1-methoxypropan-2-yloxymethyl)pyridine?
The InChIKey is PZAIAZWEIDYKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO2/c1-7(5-14-2)15-6-8-3-4-9(11)13-10(8)12/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 2,6-dichloro-3-(1-methoxypropan-2-yloxymethyl)pyridine?
2,6-dichloro-3-(1-methoxypropan-2-yloxymethyl)pyridine has a molecular weight of 250.12 g/mol, XLogP of 2.94, 5 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-methoxypropan-2-yloxymethyl)pyridine is sourced from PubChem (CID 106994598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).