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1214375-74-2 molecular structure
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ethyl 2,5-dibromopyridine-3-carboxylate

ChemBase ID: 289249
Molecular Formular: C8H7Br2NO2
Molecular Mass: 308.95468
Monoisotopic Mass: 306.88435247
SMILES and InChIs

SMILES:
O=C(OCC)c1c(Br)ncc(Br)c1
Canonical SMILES:
CCOC(=O)c1cc(Br)cnc1Br
InChI:
InChI=1S/C8H7Br2NO2/c1-2-13-8(12)6-3-5(9)4-11-7(6)10/h3-4H,2H2,1H3
InChIKey:
NMPIHOQTXGSWRI-UHFFFAOYSA-N

Cite this record

CBID:289249 http://www.chembase.cn/molecule-289249.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 2,5-dibromopyridine-3-carboxylate
IUPAC Traditional name
ethyl 2,5-dibromopyridine-3-carboxylate
Synonyms
Ethyl 2,5-dibromonicotinate
CAS Number
1214375-74-2
MDL Number
MFCD12032194
PubChem SID
180674780
PubChem CID
46311328

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD218169 Please log in.
Data Source Data ID
PubChem 46311328 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.8588855  LogD (pH = 7.4) 2.8588855 
Log P 2.8588855  Molar Refractivity 56.7628 cm3
Polarizability 21.791615 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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