2,6-dichloro-3-[2-(2-methoxyethoxy)ethoxymethyl]pyridine

C11H15Cl2NO3 — CID 106994651

IUPAC2,6-dichloro-3-[2-(2-methoxyethoxy)ethoxymethyl]pyridine
SMILESCOCCOCCOCc1ccc(Cl)nc1Cl
InChIInChI=1S/C11H15Cl2NO3/c1-15-4-5-16-6-7-17-8-9-2-3-10(12)14-11(9)13/h2-3H,4-8H2,1H3
InChIKeyKAGKLRNNUPUFBJ-UHFFFAOYSA-N
MW280.15 g/mol
LogP2.57
Rot. Bonds8

About 2,6-dichloro-3-[2-(2-methoxyethoxy)ethoxymethyl]pyridine

2,6-dichloro-3-[2-(2-methoxyethoxy)ethoxymethyl]pyridine (PubChem CID 106994651) has the molecular formula C11H15Cl2NO3 and a molecular weight of 280.15 g/mol. Its IUPAC name is 2,6-dichloro-3-[2-(2-methoxyethoxy)ethoxymethyl]pyridine.

Molecular Properties

Compound Name2,6-dichloro-3-[2-(2-methoxyethoxy)ethoxymethyl]pyridine
PubChem CID106994651
Molecular FormulaC11H15Cl2NO3
Molecular Weight280.15 g/mol
Exact Mass279.04
IUPAC Name2,6-dichloro-3-[2-(2-methoxyethoxy)ethoxymethyl]pyridine
SMILESCOCCOCCOCc1ccc(Cl)nc1Cl
InChIInChI=1S/C11H15Cl2NO3/c1-15-4-5-16-6-7-17-8-9-2-3-10(12)14-11(9)13/h2-3H,4-8H2,1H3
InChIKeyKAGKLRNNUPUFBJ-UHFFFAOYSA-N
XLogP2.57
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.15
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-3-[2-(3-methoxypropoxy)ethoxymethyl]pyridine
CID 106994670
2,6-dichloro-3-(2-propan-2-yloxyethoxymethyl)pyridine
CID 106994443
2,6-dichloro-3-(octoxymethyl)pyridine
CID 106994491
3,6-dichloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]pyridine
CID 104561220
2,6-dichloro-3-(1-methoxypropan-2-yloxymethyl)pyridine
CID 106994598
2-chloro-3-(2-methoxyethoxymethyl)quinoline
CID 54938690
3-(2-methoxyethoxy)propyl 2,6-dichloropyridine-3-carboxylate
CID 106994631
2,6-dichloro-4-(2-methoxyethoxymethyl)pyridine
CID 119088450
N-[(2,6-dichloro-3-pyridinyl)methyl]-N-(2-methoxyethyl)pentan-3-amine
CID 106993658
2,6-dichloro-3-(1-ethoxypropan-2-yloxymethyl)pyridine
CID 106994675
2-chloro-6-[2-(2-methoxyethoxy)ethoxy]pyridine
CID 104561399
2,6-dichloro-3-propylpyridine
CID 23131294

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-[2-(2-methoxyethoxy)ethoxymethyl]pyridine?
The IUPAC name of 2,6-dichloro-3-[2-(2-methoxyethoxy)ethoxymethyl]pyridine (CID 106994651) is 2,6-dichloro-3-[2-(2-methoxyethoxy)ethoxymethyl]pyridine.
What is the SMILES notation for 2,6-dichloro-3-[2-(2-methoxyethoxy)ethoxymethyl]pyridine?
The canonical SMILES for 2,6-dichloro-3-[2-(2-methoxyethoxy)ethoxymethyl]pyridine is COCCOCCOCc1ccc(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloro-3-[2-(2-methoxyethoxy)ethoxymethyl]pyridine?
The InChIKey is KAGKLRNNUPUFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO3/c1-15-4-5-16-6-7-17-8-9-2-3-10(12)14-11(9)13/h2-3H,4-8H2,1H3.
What are the key properties of 2,6-dichloro-3-[2-(2-methoxyethoxy)ethoxymethyl]pyridine?
2,6-dichloro-3-[2-(2-methoxyethoxy)ethoxymethyl]pyridine has a molecular weight of 280.15 g/mol, XLogP of 2.57, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-[2-(2-methoxyethoxy)ethoxymethyl]pyridine is sourced from PubChem (CID 106994651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).