2-methoxy-3-(3,4,5-trichlorophenyl)pyridine

C12H8Cl3NO — CID 134637897

IUPAC2-methoxy-3-(3,4,5-trichlorophenyl)pyridine
SMILESCOc1ncccc1-c1cc(Cl)c(Cl)c(Cl)c1
InChIInChI=1S/C12H8Cl3NO/c1-17-12-8(3-2-4-16-12)7-5-9(13)11(15)10(14)6-7/h2-6H,1H3
InChIKeyAZJORKDLBLMWOZ-UHFFFAOYSA-N
MW288.56 g/mol
LogP4.72
Rot. Bonds2

About 2-methoxy-3-(3,4,5-trichlorophenyl)pyridine

2-methoxy-3-(3,4,5-trichlorophenyl)pyridine (PubChem CID 134637897) has the molecular formula C12H8Cl3NO and a molecular weight of 288.56 g/mol. Its IUPAC name is 2-methoxy-3-(3,4,5-trichlorophenyl)pyridine.

Molecular Properties

Compound Name2-methoxy-3-(3,4,5-trichlorophenyl)pyridine
PubChem CID134637897
Molecular FormulaC12H8Cl3NO
Molecular Weight288.56 g/mol
Exact Mass286.97
IUPAC Name2-methoxy-3-(3,4,5-trichlorophenyl)pyridine
SMILESCOc1ncccc1-c1cc(Cl)c(Cl)c(Cl)c1
InChIInChI=1S/C12H8Cl3NO/c1-17-12-8(3-2-4-16-12)7-5-9(13)11(15)10(14)6-7/h2-6H,1H3
InChIKeyAZJORKDLBLMWOZ-UHFFFAOYSA-N
XLogP4.72
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.56
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(3,4,5-trichlorophenyl)pyridine?
The IUPAC name of 2-methoxy-3-(3,4,5-trichlorophenyl)pyridine (CID 134637897) is 2-methoxy-3-(3,4,5-trichlorophenyl)pyridine.
What is the SMILES notation for 2-methoxy-3-(3,4,5-trichlorophenyl)pyridine?
The canonical SMILES for 2-methoxy-3-(3,4,5-trichlorophenyl)pyridine is COc1ncccc1-c1cc(Cl)c(Cl)c(Cl)c1.
What is the InChIKey of 2-methoxy-3-(3,4,5-trichlorophenyl)pyridine?
The InChIKey is AZJORKDLBLMWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl3NO/c1-17-12-8(3-2-4-16-12)7-5-9(13)11(15)10(14)6-7/h2-6H,1H3.
What are the key properties of 2-methoxy-3-(3,4,5-trichlorophenyl)pyridine?
2-methoxy-3-(3,4,5-trichlorophenyl)pyridine has a molecular weight of 288.56 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(3,4,5-trichlorophenyl)pyridine is sourced from PubChem (CID 134637897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).