3-[2-(2,4-dichlorophenoxy)ethoxy]-2-iodo-6-methylpyridine

C14H12Cl2INO2 — CID 56835136

IUPAC3-[2-(2,4-dichlorophenoxy)ethoxy]-2-iodo-6-methylpyridine
SMILESCc1ccc(OCCOc2ccc(Cl)cc2Cl)c(I)n1
InChIInChI=1S/C14H12Cl2INO2/c1-9-2-4-13(14(17)18-9)20-7-6-19-12-5-3-10(15)8-11(12)16/h2-5,8H,6-7H2,1H3
InChIKeyRSHQCAXNQDJUOW-UHFFFAOYSA-N
MW424.07 g/mol
LogP4.76
Rot. Bonds5

About 3-[2-(2,4-dichlorophenoxy)ethoxy]-2-iodo-6-methylpyridine

3-[2-(2,4-dichlorophenoxy)ethoxy]-2-iodo-6-methylpyridine (PubChem CID 56835136) has the molecular formula C14H12Cl2INO2 and a molecular weight of 424.07 g/mol. Its IUPAC name is 3-[2-(2,4-dichlorophenoxy)ethoxy]-2-iodo-6-methylpyridine.

Molecular Properties

Compound Name3-[2-(2,4-dichlorophenoxy)ethoxy]-2-iodo-6-methylpyridine
PubChem CID56835136
Molecular FormulaC14H12Cl2INO2
Molecular Weight424.07 g/mol
Exact Mass422.93
IUPAC Name3-[2-(2,4-dichlorophenoxy)ethoxy]-2-iodo-6-methylpyridine
SMILESCc1ccc(OCCOc2ccc(Cl)cc2Cl)c(I)n1
InChIInChI=1S/C14H12Cl2INO2/c1-9-2-4-13(14(17)18-9)20-7-6-19-12-5-3-10(15)8-11(12)16/h2-5,8H,6-7H2,1H3
InChIKeyRSHQCAXNQDJUOW-UHFFFAOYSA-N
XLogP4.76
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.07
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-dichlorophenoxy)ethoxy]-2-iodo-6-methylpyridine?
The IUPAC name of 3-[2-(2,4-dichlorophenoxy)ethoxy]-2-iodo-6-methylpyridine (CID 56835136) is 3-[2-(2,4-dichlorophenoxy)ethoxy]-2-iodo-6-methylpyridine.
What is the SMILES notation for 3-[2-(2,4-dichlorophenoxy)ethoxy]-2-iodo-6-methylpyridine?
The canonical SMILES for 3-[2-(2,4-dichlorophenoxy)ethoxy]-2-iodo-6-methylpyridine is Cc1ccc(OCCOc2ccc(Cl)cc2Cl)c(I)n1.
What is the InChIKey of 3-[2-(2,4-dichlorophenoxy)ethoxy]-2-iodo-6-methylpyridine?
The InChIKey is RSHQCAXNQDJUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2INO2/c1-9-2-4-13(14(17)18-9)20-7-6-19-12-5-3-10(15)8-11(12)16/h2-5,8H,6-7H2,1H3.
What are the key properties of 3-[2-(2,4-dichlorophenoxy)ethoxy]-2-iodo-6-methylpyridine?
3-[2-(2,4-dichlorophenoxy)ethoxy]-2-iodo-6-methylpyridine has a molecular weight of 424.07 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-dichlorophenoxy)ethoxy]-2-iodo-6-methylpyridine is sourced from PubChem (CID 56835136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).