2-chloro-4-(3,5-dichlorophenoxy)-5-methylpyridine

C12H8Cl3NO — CID 83269241

IUPAC2-chloro-4-(3,5-dichlorophenoxy)-5-methylpyridine
SMILESCc1cnc(Cl)cc1Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H8Cl3NO/c1-7-6-16-12(15)5-11(7)17-10-3-8(13)2-9(14)4-10/h2-6H,1H3
InChIKeyOMZOHBASTLJOQV-UHFFFAOYSA-N
MW288.56 g/mol
LogP5.14
Rot. Bonds2

About 2-chloro-4-(3,5-dichlorophenoxy)-5-methylpyridine

2-chloro-4-(3,5-dichlorophenoxy)-5-methylpyridine (PubChem CID 83269241) has the molecular formula C12H8Cl3NO and a molecular weight of 288.56 g/mol. Its IUPAC name is 2-chloro-4-(3,5-dichlorophenoxy)-5-methylpyridine.

Molecular Properties

Compound Name2-chloro-4-(3,5-dichlorophenoxy)-5-methylpyridine
PubChem CID83269241
Molecular FormulaC12H8Cl3NO
Molecular Weight288.56 g/mol
Exact Mass286.97
IUPAC Name2-chloro-4-(3,5-dichlorophenoxy)-5-methylpyridine
SMILESCc1cnc(Cl)cc1Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H8Cl3NO/c1-7-6-16-12(15)5-11(7)17-10-3-8(13)2-9(14)4-10/h2-6H,1H3
InChIKeyOMZOHBASTLJOQV-UHFFFAOYSA-N
XLogP5.14
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.56
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3,5-dichlorophenoxy)-5-methylpyridine?
The IUPAC name of 2-chloro-4-(3,5-dichlorophenoxy)-5-methylpyridine (CID 83269241) is 2-chloro-4-(3,5-dichlorophenoxy)-5-methylpyridine.
What is the SMILES notation for 2-chloro-4-(3,5-dichlorophenoxy)-5-methylpyridine?
The canonical SMILES for 2-chloro-4-(3,5-dichlorophenoxy)-5-methylpyridine is Cc1cnc(Cl)cc1Oc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-chloro-4-(3,5-dichlorophenoxy)-5-methylpyridine?
The InChIKey is OMZOHBASTLJOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl3NO/c1-7-6-16-12(15)5-11(7)17-10-3-8(13)2-9(14)4-10/h2-6H,1H3.
What are the key properties of 2-chloro-4-(3,5-dichlorophenoxy)-5-methylpyridine?
2-chloro-4-(3,5-dichlorophenoxy)-5-methylpyridine has a molecular weight of 288.56 g/mol, XLogP of 5.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3,5-dichlorophenoxy)-5-methylpyridine is sourced from PubChem (CID 83269241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).