4-butoxy-3,5-dichloro-2-methoxy-6-(trichloromethyl)pyridine;3,5-dichloro-4-ethoxy-2-methoxy-6-(trichloromethyl)pyridine

C20H20Cl10N2O4 — CID 161468922

IUPAC4-butoxy-3,5-dichloro-2-methoxy-6-(trichloromethyl)pyridine;3,5-dichloro-4-ethoxy-2-methoxy-6-(trichloromethyl)pyridine
SMILESCCCCOc1c(Cl)c(OC)nc(C(Cl)(Cl)Cl)c1Cl.CCOc1c(Cl)c(OC)nc(C(Cl)(Cl)Cl)c1Cl
InChIInChI=1S/C11H12Cl5NO2.C9H8Cl5NO2/c1-3-4-5-19-8-6(12)9(11(14,15)16)17-10(18-2)7(8)13;1-3-17-6-4(10)7(9(12,13)14)15-8(16-2)5(6)11/h3-5H2,1-2H3;3H2,1-2H3
InChIKeyWCURKXMUOFBNEP-UHFFFAOYSA-N
MW706.92 g/mol
LogP10.02
Rot. Bonds8

About 4-butoxy-3,5-dichloro-2-methoxy-6-(trichloromethyl)pyridine;3,5-dichloro-4-ethoxy-2-methoxy-6-(trichloromethyl)pyridine

4-butoxy-3,5-dichloro-2-methoxy-6-(trichloromethyl)pyridine;3,5-dichloro-4-ethoxy-2-methoxy-6-(trichloromethyl)pyridine (PubChem CID 161468922) has the molecular formula C20H20Cl10N2O4 and a molecular weight of 706.92 g/mol. Its IUPAC name is 4-butoxy-3,5-dichloro-2-methoxy-6-(trichloromethyl)pyridine;3,5-dichloro-4-ethoxy-2-methoxy-6-(trichloromethyl)pyridine.

Molecular Properties

Compound Name4-butoxy-3,5-dichloro-2-methoxy-6-(trichloromethyl)pyridine;3,5-dichloro-4-ethoxy-2-methoxy-6-(trichloromethyl)pyridine
PubChem CID161468922
Molecular FormulaC20H20Cl10N2O4
Molecular Weight706.92 g/mol
Exact Mass701.83
IUPAC Name4-butoxy-3,5-dichloro-2-methoxy-6-(trichloromethyl)pyridine;3,5-dichloro-4-ethoxy-2-methoxy-6-(trichloromethyl)pyridine
SMILESCCCCOc1c(Cl)c(OC)nc(C(Cl)(Cl)Cl)c1Cl.CCOc1c(Cl)c(OC)nc(C(Cl)(Cl)Cl)c1Cl
InChIInChI=1S/C11H12Cl5NO2.C9H8Cl5NO2/c1-3-4-5-19-8-6(12)9(11(14,15)16)17-10(18-2)7(8)13;1-3-17-6-4(10)7(9(12,13)14)15-8(16-2)5(6)11/h3-5H2,1-2H3;3H2,1-2H3
InChIKeyWCURKXMUOFBNEP-UHFFFAOYSA-N
XLogP10.02
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.92
LogP ≤ 510.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-2,4-dimethoxy-6-(trichloromethyl)pyridine
CID 90725396
[3,5-dichloro-2-methoxy-6-(trichloromethyl)-4-pyridinyl] octanoate
CID 101126981
3,5-dichloro-4-ethenyl-2-methoxy-6-(trichloromethyl)pyridine
CID 58685813
3,5-dichloro-4-methoxy-2-phenoxy-6-(trichloromethyl)pyridine
CID 10894370
1,2,3,4,5-pentachloro-6-octoxybenzene
CID 19820106
3,5-dichloro-4-ethoxy-2,6-dimethylpyridine
CID 605771
2-butoxy-1,3,4,5-tetrachlorobenzene
CID 91736828
1,3,5-trichloro-2,4,6-tripropoxybenzene
CID 88760261
3,4,6-trichloro-5-pentoxybenzene-1,2-dicarbonitrile
CID 118496523
1-butoxy-3,4-diethoxy-2-propoxybenzene
CID 70308911
5-chloro-4-methoxy-6-(3-methyloctan-3-yl)pyrimidine
CID 146377305
5,8,14,17,23,26,32,35-octabutoxy-6,7,15,16,24,25,33,34-octachloro-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene
CID 135471803

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3,5-dichloro-2-methoxy-6-(trichloromethyl)pyridine;3,5-dichloro-4-ethoxy-2-methoxy-6-(trichloromethyl)pyridine?
The IUPAC name of 4-butoxy-3,5-dichloro-2-methoxy-6-(trichloromethyl)pyridine;3,5-dichloro-4-ethoxy-2-methoxy-6-(trichloromethyl)pyridine (CID 161468922) is 4-butoxy-3,5-dichloro-2-methoxy-6-(trichloromethyl)pyridine;3,5-dichloro-4-ethoxy-2-methoxy-6-(trichloromethyl)pyridine.
What is the SMILES notation for 4-butoxy-3,5-dichloro-2-methoxy-6-(trichloromethyl)pyridine;3,5-dichloro-4-ethoxy-2-methoxy-6-(trichloromethyl)pyridine?
The canonical SMILES for 4-butoxy-3,5-dichloro-2-methoxy-6-(trichloromethyl)pyridine;3,5-dichloro-4-ethoxy-2-methoxy-6-(trichloromethyl)pyridine is CCCCOc1c(Cl)c(OC)nc(C(Cl)(Cl)Cl)c1Cl.CCOc1c(Cl)c(OC)nc(C(Cl)(Cl)Cl)c1Cl.
What is the InChIKey of 4-butoxy-3,5-dichloro-2-methoxy-6-(trichloromethyl)pyridine;3,5-dichloro-4-ethoxy-2-methoxy-6-(trichloromethyl)pyridine?
The InChIKey is WCURKXMUOFBNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl5NO2.C9H8Cl5NO2/c1-3-4-5-19-8-6(12)9(11(14,15)16)17-10(18-2)7(8)13;1-3-17-6-4(10)7(9(12,13)14)15-8(16-2)5(6)11/h3-5H2,1-2H3;3H2,1-2H3.
What are the key properties of 4-butoxy-3,5-dichloro-2-methoxy-6-(trichloromethyl)pyridine;3,5-dichloro-4-ethoxy-2-methoxy-6-(trichloromethyl)pyridine?
4-butoxy-3,5-dichloro-2-methoxy-6-(trichloromethyl)pyridine;3,5-dichloro-4-ethoxy-2-methoxy-6-(trichloromethyl)pyridine has a molecular weight of 706.92 g/mol, XLogP of 10.02, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3,5-dichloro-2-methoxy-6-(trichloromethyl)pyridine;3,5-dichloro-4-ethoxy-2-methoxy-6-(trichloromethyl)pyridine is sourced from PubChem (CID 161468922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).