3,6-dichloro-2-[(2-ethoxyphenoxy)methyl]pyridine

C14H13Cl2NO2 — CID 55127453

IUPAC3,6-dichloro-2-[(2-ethoxyphenoxy)methyl]pyridine
SMILESCCOc1ccccc1OCc1nc(Cl)ccc1Cl
InChIInChI=1S/C14H13Cl2NO2/c1-2-18-12-5-3-4-6-13(12)19-9-11-10(15)7-8-14(16)17-11/h3-8H,2,9H2,1H3
InChIKeyPDIHIMZIHJGNRP-UHFFFAOYSA-N
MW298.17 g/mol
LogP4.37
Rot. Bonds5

About 3,6-dichloro-2-[(2-ethoxyphenoxy)methyl]pyridine

3,6-dichloro-2-[(2-ethoxyphenoxy)methyl]pyridine (PubChem CID 55127453) has the molecular formula C14H13Cl2NO2 and a molecular weight of 298.17 g/mol. Its IUPAC name is 3,6-dichloro-2-[(2-ethoxyphenoxy)methyl]pyridine.

Molecular Properties

Compound Name3,6-dichloro-2-[(2-ethoxyphenoxy)methyl]pyridine
PubChem CID55127453
Molecular FormulaC14H13Cl2NO2
Molecular Weight298.17 g/mol
Exact Mass297.03
IUPAC Name3,6-dichloro-2-[(2-ethoxyphenoxy)methyl]pyridine
SMILESCCOc1ccccc1OCc1nc(Cl)ccc1Cl
InChIInChI=1S/C14H13Cl2NO2/c1-2-18-12-5-3-4-6-13(12)19-9-11-10(15)7-8-14(16)17-11/h3-8H,2,9H2,1H3
InChIKeyPDIHIMZIHJGNRP-UHFFFAOYSA-N
XLogP4.37
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,6-dichloro-2-[(2-ethoxyphenoxy)methyl]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

3,6-dichloro-2-[(4-ethoxyphenoxy)methyl]pyridine
CID 62892935
8-[(3,6-dichloro-2-pyridinyl)methoxy]-2-methylquinoline
CID 62886311
3-[(3,6-dichloro-2-pyridinyl)methoxy]-4-methylbenzonitrile
CID 104693556
[6-[(2-butan-2-ylphenoxy)methyl]-5-chloro-2-pyridinyl]hydrazine
CID 62887389
CID 57470241
CID 57470241
4-chloro-6-ethoxy-2-[(2-methoxyphenoxy)methyl]pyrimidine
CID 82169602
5-chloro-N-ethyl-6-[(2-methylsulfanylphenoxy)methyl]pyridin-2-amine
CID 63649715
3,6-dichloro-2-[(2-methyl-5-nitrophenoxy)methyl]pyridine
CID 62886670
6-chloro-3-ethoxy-2-iodopyridine
CID 131160453
2,4-dichloro-6-(2-ethoxyphenoxy)-1,3,5-triazine
CID 62858074
3,6-dichloro-2-[(4-methylcyclohexyl)oxymethyl]pyridine
CID 62885094
3,6-dichloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]pyridine
CID 104561220

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-2-[(2-ethoxyphenoxy)methyl]pyridine?
The IUPAC name of 3,6-dichloro-2-[(2-ethoxyphenoxy)methyl]pyridine (CID 55127453) is 3,6-dichloro-2-[(2-ethoxyphenoxy)methyl]pyridine.
What is the SMILES notation for 3,6-dichloro-2-[(2-ethoxyphenoxy)methyl]pyridine?
The canonical SMILES for 3,6-dichloro-2-[(2-ethoxyphenoxy)methyl]pyridine is CCOc1ccccc1OCc1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-2-[(2-ethoxyphenoxy)methyl]pyridine?
The InChIKey is PDIHIMZIHJGNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO2/c1-2-18-12-5-3-4-6-13(12)19-9-11-10(15)7-8-14(16)17-11/h3-8H,2,9H2,1H3.
What are the key properties of 3,6-dichloro-2-[(2-ethoxyphenoxy)methyl]pyridine?
3,6-dichloro-2-[(2-ethoxyphenoxy)methyl]pyridine has a molecular weight of 298.17 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-2-[(2-ethoxyphenoxy)methyl]pyridine is sourced from PubChem (CID 55127453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).