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86129-63-7 molecular structure
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ethyl 2,4-dichloro-6-methylpyridine-3-carboxylate

ChemBase ID: 13674
Molecular Formular: C9H9Cl2NO2
Molecular Mass: 234.07926
Monoisotopic Mass: 233.00103389
SMILES and InChIs

SMILES:
c1c(nc(c(c1Cl)C(=O)OCC)Cl)C
Canonical SMILES:
CCOC(=O)c1c(Cl)cc(nc1Cl)C
InChI:
InChI=1S/C9H9Cl2NO2/c1-3-14-9(13)7-6(10)4-5(2)12-8(7)11/h4H,3H2,1-2H3
InChIKey:
ZNFJVVLTQSOWJY-UHFFFAOYSA-N

Cite this record

CBID:13674 http://www.chembase.cn/molecule-13674.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 2,4-dichloro-6-methylpyridine-3-carboxylate
IUPAC Traditional name
ethyl 2,4-dichloro-6-methylpyridine-3-carboxylate
Synonyms
Ethyl 2,4-dichloro-6-methylpyridine-3-carboxylate
Ethyl 2,4-dichloro-6-methylnicotinate
Ethyl 2,4-dichloro-6-Methyl-3-pyridinecarboxylate
CAS Number
86129-63-7
MDL Number
MFCD00173918
PubChem SID
160976981
PubChem CID
604813

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.6754942  LogD (pH = 7.4) 2.675495 
Log P 2.675495  Molar Refractivity 55.9374 cm3
Polarizability 21.420525 Å3 Polar Surface Area 39.19 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
56-59°C expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
97% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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