3-chloro-6-[1-[3-chloro-4-(4-methylpentoxy)phenyl]ethenyl]-2-methoxypyridine

C20H23Cl2NO2 — CID 89016523

IUPAC3-chloro-6-[1-[3-chloro-4-(4-methylpentoxy)phenyl]ethenyl]-2-methoxypyridine
SMILESC=C(c1ccc(OCCCC(C)C)c(Cl)c1)c1ccc(Cl)c(OC)n1
InChIInChI=1S/C20H23Cl2NO2/c1-13(2)6-5-11-25-19-10-7-15(12-17(19)22)14(3)18-9-8-16(21)20(23-18)24-4/h7-10,12-13H,3,5-6,11H2,1-2,4H3
InChIKeyIWSJMZLODMLZTE-UHFFFAOYSA-N
MW380.32 g/mol
LogP6.27
Rot. Bonds8

About 3-chloro-6-[1-[3-chloro-4-(4-methylpentoxy)phenyl]ethenyl]-2-methoxypyridine

3-chloro-6-[1-[3-chloro-4-(4-methylpentoxy)phenyl]ethenyl]-2-methoxypyridine (PubChem CID 89016523) has the molecular formula C20H23Cl2NO2 and a molecular weight of 380.32 g/mol. Its IUPAC name is 3-chloro-6-[1-[3-chloro-4-(4-methylpentoxy)phenyl]ethenyl]-2-methoxypyridine.

Molecular Properties

Compound Name3-chloro-6-[1-[3-chloro-4-(4-methylpentoxy)phenyl]ethenyl]-2-methoxypyridine
PubChem CID89016523
Molecular FormulaC20H23Cl2NO2
Molecular Weight380.32 g/mol
Exact Mass379.11
IUPAC Name3-chloro-6-[1-[3-chloro-4-(4-methylpentoxy)phenyl]ethenyl]-2-methoxypyridine
SMILESC=C(c1ccc(OCCCC(C)C)c(Cl)c1)c1ccc(Cl)c(OC)n1
InChIInChI=1S/C20H23Cl2NO2/c1-13(2)6-5-11-25-19-10-7-15(12-17(19)22)14(3)18-9-8-16(21)20(23-18)24-4/h7-10,12-13H,3,5-6,11H2,1-2,4H3
InChIKeyIWSJMZLODMLZTE-UHFFFAOYSA-N
XLogP6.27
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.32
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[1-[3-chloro-4-(4-methylpentoxy)phenyl]ethenyl]-2-methoxypyridine?
The IUPAC name of 3-chloro-6-[1-[3-chloro-4-(4-methylpentoxy)phenyl]ethenyl]-2-methoxypyridine (CID 89016523) is 3-chloro-6-[1-[3-chloro-4-(4-methylpentoxy)phenyl]ethenyl]-2-methoxypyridine.
What is the SMILES notation for 3-chloro-6-[1-[3-chloro-4-(4-methylpentoxy)phenyl]ethenyl]-2-methoxypyridine?
The canonical SMILES for 3-chloro-6-[1-[3-chloro-4-(4-methylpentoxy)phenyl]ethenyl]-2-methoxypyridine is C=C(c1ccc(OCCCC(C)C)c(Cl)c1)c1ccc(Cl)c(OC)n1.
What is the InChIKey of 3-chloro-6-[1-[3-chloro-4-(4-methylpentoxy)phenyl]ethenyl]-2-methoxypyridine?
The InChIKey is IWSJMZLODMLZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2NO2/c1-13(2)6-5-11-25-19-10-7-15(12-17(19)22)14(3)18-9-8-16(21)20(23-18)24-4/h7-10,12-13H,3,5-6,11H2,1-2,4H3.
What are the key properties of 3-chloro-6-[1-[3-chloro-4-(4-methylpentoxy)phenyl]ethenyl]-2-methoxypyridine?
3-chloro-6-[1-[3-chloro-4-(4-methylpentoxy)phenyl]ethenyl]-2-methoxypyridine has a molecular weight of 380.32 g/mol, XLogP of 6.27, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[1-[3-chloro-4-(4-methylpentoxy)phenyl]ethenyl]-2-methoxypyridine is sourced from PubChem (CID 89016523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).