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

C13H19Cl2NO4 — CID 104561220

IUPAC3,6-dichloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]pyridine
SMILESCOCCOCCOCCOCc1nc(Cl)ccc1Cl
InChIInChI=1S/C13H19Cl2NO4/c1-17-4-5-18-6-7-19-8-9-20-10-12-11(14)2-3-13(15)16-12/h2-3H,4-10H2,1H3
InChIKeyIHOPOBIBOYLQNZ-UHFFFAOYSA-N
MW324.20 g/mol
LogP2.58
Rot. Bonds11

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

3,6-dichloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]pyridine (PubChem CID 104561220) has the molecular formula C13H19Cl2NO4 and a molecular weight of 324.20 g/mol. Its IUPAC name is 3,6-dichloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]pyridine.

Molecular Properties

Compound Name3,6-dichloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]pyridine
PubChem CID104561220
Molecular FormulaC13H19Cl2NO4
Molecular Weight324.20 g/mol
Exact Mass323.07
IUPAC Name3,6-dichloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]pyridine
SMILESCOCCOCCOCCOCc1nc(Cl)ccc1Cl
InChIInChI=1S/C13H19Cl2NO4/c1-17-4-5-18-6-7-19-8-9-20-10-12-11(14)2-3-13(15)16-12/h2-3H,4-10H2,1H3
InChIKeyIHOPOBIBOYLQNZ-UHFFFAOYSA-N
XLogP2.58
TPSA49.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3,6-dichloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-dichloro-3-[2-(2-methoxyethoxy)ethoxymethyl]pyridine
CID 106994651
5-chloro-6-(3-methoxypropoxymethyl)pyridin-2-amine
CID 62886850
2-(but-3-enoxymethyl)-3,6-dichloropyridine
CID 62887557
1-(3,6-dichloro-2-pyridinyl)-N-methoxymethanamine
CID 131041653
2,6-dichloro-3-[2-(3-methoxypropoxy)ethoxymethyl]pyridine
CID 106994670
methyl 4-[(3,6-dichloro-2-pyridinyl)methoxy]benzoate
CID 59756933
2,6-dichloro-4-(2-methoxyethoxymethyl)pyridine
CID 119088450
6-(2-butoxyethoxymethyl)-5-chloro-N-methylpyridin-2-amine
CID 55127649
[3-chloro-6-[3-(2-methoxyethoxy)propoxy]-2-pyridinyl]methanol
CID 103403961
[3-chloro-6-[3-(2-methoxyethoxy)propoxy]-2-pyridinyl]methanamine
CID 103405839
2-chloro-6-[2-(2-methoxyethoxy)ethoxy]pyridine
CID 104561399
3,6-dichloro-2-[(4-ethoxyphenoxy)methyl]pyridine
CID 62892935

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]pyridine?
The IUPAC name of 3,6-dichloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]pyridine (CID 104561220) is 3,6-dichloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]pyridine.
What is the SMILES notation for 3,6-dichloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]pyridine?
The canonical SMILES for 3,6-dichloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]pyridine is COCCOCCOCCOCc1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]pyridine?
The InChIKey is IHOPOBIBOYLQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO4/c1-17-4-5-18-6-7-19-8-9-20-10-12-11(14)2-3-13(15)16-12/h2-3H,4-10H2,1H3.
What are the key properties of 3,6-dichloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]pyridine?
3,6-dichloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]pyridine has a molecular weight of 324.20 g/mol, XLogP of 2.58, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]pyridine is sourced from PubChem (CID 104561220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).