Home > Compound List > Compound details
128073-19-8 molecular structure
click picture or here to close

ethyl 3,5-dichloropyridine-2-carboxylate

ChemBase ID: 292599
Molecular Formular: C8H7Cl2NO2
Molecular Mass: 220.05268
Monoisotopic Mass: 218.98538383
SMILES and InChIs

SMILES:
O=C(OCC)c1ncc(Cl)cc1Cl
Canonical SMILES:
CCOC(=O)c1ncc(cc1Cl)Cl
InChI:
InChI=1S/C8H7Cl2NO2/c1-2-13-8(12)7-6(10)3-5(9)4-11-7/h3-4H,2H2,1H3
InChIKey:
GDANWGXDANXYNZ-UHFFFAOYSA-N

Cite this record

CBID:292599 http://www.chembase.cn/molecule-292599.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 3,5-dichloropyridine-2-carboxylate
IUPAC Traditional name
ethyl 3,5-dichloropyridine-2-carboxylate
Synonyms
Ethyl 3,5-dichloropicolinate
CAS Number
128073-19-8
PubChem SID
180678130
PubChem CID
22484982

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD241448 Please log in.
Data Source Data ID
PubChem 22484982 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.5097978  LogD (pH = 7.4) 2.509798 
Log P 2.509798  Molar Refractivity 49.9126 cm3
Polarizability 19.6303 Å3 Polar Surface Area 39.19 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle