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1214351-33-3 molecular structure
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ethyl 5,6-dibromopyridine-2-carboxylate

ChemBase ID: 292560
Molecular Formular: C8H7Br2NO2
Molecular Mass: 308.95468
Monoisotopic Mass: 306.88435247
SMILES and InChIs

SMILES:
O=C(OCC)c1nc(Br)c(Br)cc1
Canonical SMILES:
CCOC(=O)c1ccc(c(n1)Br)Br
InChI:
InChI=1S/C8H7Br2NO2/c1-2-13-8(12)6-4-3-5(9)7(10)11-6/h3-4H,2H2,1H3
InChIKey:
YACWTWOCKWHFSC-UHFFFAOYSA-N

Cite this record

CBID:292560 http://www.chembase.cn/molecule-292560.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 5,6-dibromopyridine-2-carboxylate
IUPAC Traditional name
ethyl 5,6-dibromopyridine-2-carboxylate
Synonyms
Ethyl 5,6-dibromopicolinate
CAS Number
1214351-33-3
PubChem SID
180678091
PubChem CID
46311327

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD241407 Please log in.
Data Source Data ID
PubChem 46311327 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.044736  LogD (pH = 7.4) 3.044736 
Log P 3.044736  Molar Refractivity 56.3908 cm3
Polarizability 21.799297 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

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PATENTS

PATENTS

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INTERNET

INTERNET

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