2-(4-methoxyphenoxy)ethyl 3,4,5-trichloropyridine-2-carboxylate

C15H12Cl3NO4 — CID 167892651

IUPAC2-(4-methoxyphenoxy)ethyl 3,4,5-trichloropyridine-2-carboxylate
SMILESCOc1ccc(OCCOC(=O)c2ncc(Cl)c(Cl)c2Cl)cc1
InChIInChI=1S/C15H12Cl3NO4/c1-21-9-2-4-10(5-3-9)22-6-7-23-15(20)14-13(18)12(17)11(16)8-19-14/h2-5,8H,6-7H2,1H3
InChIKeyHNJRESXIHLOMTD-UHFFFAOYSA-N
MW376.62 g/mol
LogP4.29
Rot. Bonds6

About 2-(4-methoxyphenoxy)ethyl 3,4,5-trichloropyridine-2-carboxylate

2-(4-methoxyphenoxy)ethyl 3,4,5-trichloropyridine-2-carboxylate (PubChem CID 167892651) has the molecular formula C15H12Cl3NO4 and a molecular weight of 376.62 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)ethyl 3,4,5-trichloropyridine-2-carboxylate.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)ethyl 3,4,5-trichloropyridine-2-carboxylate
PubChem CID167892651
Molecular FormulaC15H12Cl3NO4
Molecular Weight376.62 g/mol
Exact Mass374.98
IUPAC Name2-(4-methoxyphenoxy)ethyl 3,4,5-trichloropyridine-2-carboxylate
SMILESCOc1ccc(OCCOC(=O)c2ncc(Cl)c(Cl)c2Cl)cc1
InChIInChI=1S/C15H12Cl3NO4/c1-21-9-2-4-10(5-3-9)22-6-7-23-15(20)14-13(18)12(17)11(16)8-19-14/h2-5,8H,6-7H2,1H3
InChIKeyHNJRESXIHLOMTD-UHFFFAOYSA-N
XLogP4.29
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.62
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-methoxycarbonylphenyl) 3,4,5-trichloropyridine-2-carboxylate
CID 8961342
[2-(ethylamino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 4539118
2-(4-methoxyphenoxy)ethyl 5-aminopyridine-2-carboxylate
CID 81312356
2-(4-methoxyphenoxy)ethyl 5-chloro-2-hydroxybenzoate
CID 7787466
2-(4-methoxyphenoxy)ethyl 3-chloro-1-benzothiophene-2-carboxylate
CID 7824647
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 41156292
(4-acetyl-2-methoxyphenyl) 3,4,5-trichloropyridine-2-carboxylate
CID 16551449
methyl 3-chloro-4-[2-(4-methoxyphenoxy)ethoxy]benzoate
CID 112772161
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 4257818
[2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 16509003
2-(4-methoxyphenoxy)ethyl 2,4-dihydroxybenzoate
CID 2647186
2-(4-methoxyphenoxy)ethyl 4-acetamidobenzoate
CID 7654087

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)ethyl 3,4,5-trichloropyridine-2-carboxylate?
The IUPAC name of 2-(4-methoxyphenoxy)ethyl 3,4,5-trichloropyridine-2-carboxylate (CID 167892651) is 2-(4-methoxyphenoxy)ethyl 3,4,5-trichloropyridine-2-carboxylate.
What is the SMILES notation for 2-(4-methoxyphenoxy)ethyl 3,4,5-trichloropyridine-2-carboxylate?
The canonical SMILES for 2-(4-methoxyphenoxy)ethyl 3,4,5-trichloropyridine-2-carboxylate is COc1ccc(OCCOC(=O)c2ncc(Cl)c(Cl)c2Cl)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)ethyl 3,4,5-trichloropyridine-2-carboxylate?
The InChIKey is HNJRESXIHLOMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3NO4/c1-21-9-2-4-10(5-3-9)22-6-7-23-15(20)14-13(18)12(17)11(16)8-19-14/h2-5,8H,6-7H2,1H3.
What are the key properties of 2-(4-methoxyphenoxy)ethyl 3,4,5-trichloropyridine-2-carboxylate?
2-(4-methoxyphenoxy)ethyl 3,4,5-trichloropyridine-2-carboxylate has a molecular weight of 376.62 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)ethyl 3,4,5-trichloropyridine-2-carboxylate is sourced from PubChem (CID 167892651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).