3,5-dichloro-4-methoxy-2-phenoxy-6-(trichloromethyl)pyridine

C13H8Cl5NO2 — CID 10894370

IUPAC3,5-dichloro-4-methoxy-2-phenoxy-6-(trichloromethyl)pyridine
SMILESCOc1c(Cl)c(Oc2ccccc2)nc(C(Cl)(Cl)Cl)c1Cl
InChIInChI=1S/C13H8Cl5NO2/c1-20-10-8(14)11(13(16,17)18)19-12(9(10)15)21-7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyDVLZSRPDMQJCHI-UHFFFAOYSA-N
MW387.48 g/mol
LogP6.02
Rot. Bonds3

About 3,5-dichloro-4-methoxy-2-phenoxy-6-(trichloromethyl)pyridine

3,5-dichloro-4-methoxy-2-phenoxy-6-(trichloromethyl)pyridine (PubChem CID 10894370) has the molecular formula C13H8Cl5NO2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 3,5-dichloro-4-methoxy-2-phenoxy-6-(trichloromethyl)pyridine.

Molecular Properties

Compound Name3,5-dichloro-4-methoxy-2-phenoxy-6-(trichloromethyl)pyridine
PubChem CID10894370
Molecular FormulaC13H8Cl5NO2
Molecular Weight387.48 g/mol
Exact Mass384.90
IUPAC Name3,5-dichloro-4-methoxy-2-phenoxy-6-(trichloromethyl)pyridine
SMILESCOc1c(Cl)c(Oc2ccccc2)nc(C(Cl)(Cl)Cl)c1Cl
InChIInChI=1S/C13H8Cl5NO2/c1-20-10-8(14)11(13(16,17)18)19-12(9(10)15)21-7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyDVLZSRPDMQJCHI-UHFFFAOYSA-N
XLogP6.02
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-methoxy-2-phenoxy-6-(trichloromethyl)pyridine?
The IUPAC name of 3,5-dichloro-4-methoxy-2-phenoxy-6-(trichloromethyl)pyridine (CID 10894370) is 3,5-dichloro-4-methoxy-2-phenoxy-6-(trichloromethyl)pyridine.
What is the SMILES notation for 3,5-dichloro-4-methoxy-2-phenoxy-6-(trichloromethyl)pyridine?
The canonical SMILES for 3,5-dichloro-4-methoxy-2-phenoxy-6-(trichloromethyl)pyridine is COc1c(Cl)c(Oc2ccccc2)nc(C(Cl)(Cl)Cl)c1Cl.
What is the InChIKey of 3,5-dichloro-4-methoxy-2-phenoxy-6-(trichloromethyl)pyridine?
The InChIKey is DVLZSRPDMQJCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl5NO2/c1-20-10-8(14)11(13(16,17)18)19-12(9(10)15)21-7-5-3-2-4-6-7/h2-6H,1H3.
What are the key properties of 3,5-dichloro-4-methoxy-2-phenoxy-6-(trichloromethyl)pyridine?
3,5-dichloro-4-methoxy-2-phenoxy-6-(trichloromethyl)pyridine has a molecular weight of 387.48 g/mol, XLogP of 6.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-methoxy-2-phenoxy-6-(trichloromethyl)pyridine is sourced from PubChem (CID 10894370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).