2,3,5,6-tetrachloro-4-(4-methylphenoxy)pyridine

C12H7Cl4NO — CID 12538987

IUPAC2,3,5,6-tetrachloro-4-(4-methylphenoxy)pyridine
SMILESCc1ccc(Oc2c(Cl)c(Cl)nc(Cl)c2Cl)cc1
InChIInChI=1S/C12H7Cl4NO/c1-6-2-4-7(5-3-6)18-10-8(13)11(15)17-12(16)9(10)14/h2-5H,1H3
InChIKeyFLLYUMJEOVBKNM-UHFFFAOYSA-N
MW323.01 g/mol
LogP5.80
Rot. Bonds2

About 2,3,5,6-tetrachloro-4-(4-methylphenoxy)pyridine

2,3,5,6-tetrachloro-4-(4-methylphenoxy)pyridine (PubChem CID 12538987) has the molecular formula C12H7Cl4NO and a molecular weight of 323.01 g/mol. Its IUPAC name is 2,3,5,6-tetrachloro-4-(4-methylphenoxy)pyridine.

Molecular Properties

Compound Name2,3,5,6-tetrachloro-4-(4-methylphenoxy)pyridine
PubChem CID12538987
Molecular FormulaC12H7Cl4NO
Molecular Weight323.01 g/mol
Exact Mass320.93
IUPAC Name2,3,5,6-tetrachloro-4-(4-methylphenoxy)pyridine
SMILESCc1ccc(Oc2c(Cl)c(Cl)nc(Cl)c2Cl)cc1
InChIInChI=1S/C12H7Cl4NO/c1-6-2-4-7(5-3-6)18-10-8(13)11(15)17-12(16)9(10)14/h2-5H,1H3
InChIKeyFLLYUMJEOVBKNM-UHFFFAOYSA-N
XLogP5.80
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.01
LogP ≤ 55.80
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 2,3,5,6-tetrachloro-4-(4-methylphenoxy)pyridine?
The IUPAC name of 2,3,5,6-tetrachloro-4-(4-methylphenoxy)pyridine (CID 12538987) is 2,3,5,6-tetrachloro-4-(4-methylphenoxy)pyridine.
What is the SMILES notation for 2,3,5,6-tetrachloro-4-(4-methylphenoxy)pyridine?
The canonical SMILES for 2,3,5,6-tetrachloro-4-(4-methylphenoxy)pyridine is Cc1ccc(Oc2c(Cl)c(Cl)nc(Cl)c2Cl)cc1.
What is the InChIKey of 2,3,5,6-tetrachloro-4-(4-methylphenoxy)pyridine?
The InChIKey is FLLYUMJEOVBKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl4NO/c1-6-2-4-7(5-3-6)18-10-8(13)11(15)17-12(16)9(10)14/h2-5H,1H3.
What are the key properties of 2,3,5,6-tetrachloro-4-(4-methylphenoxy)pyridine?
2,3,5,6-tetrachloro-4-(4-methylphenoxy)pyridine has a molecular weight of 323.01 g/mol, XLogP of 5.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrachloro-4-(4-methylphenoxy)pyridine is sourced from PubChem (CID 12538987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).