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1214377-88-4 molecular structure
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ethyl 3-bromo-6-methoxypyridine-2-carboxylate

ChemBase ID: 292502
Molecular Formular: C9H10BrNO3
Molecular Mass: 260.0846
Monoisotopic Mass: 258.98440519
SMILES and InChIs

SMILES:
O=C(OCC)c1nc(OC)ccc1Br
Canonical SMILES:
CCOC(=O)c1nc(OC)ccc1Br
InChI:
InChI=1S/C9H10BrNO3/c1-3-14-9(12)8-6(10)4-5-7(11-8)13-2/h4-5H,3H2,1-2H3
InChIKey:
LKJGHDGUALTUPC-UHFFFAOYSA-N

Cite this record

CBID:292502 http://www.chembase.cn/molecule-292502.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 3-bromo-6-methoxypyridine-2-carboxylate
IUPAC Traditional name
ethyl 3-bromo-6-methoxypyridine-2-carboxylate
Synonyms
Ethyl 3-bromo-6-methoxypicolinate
CAS Number
1214377-88-4
PubChem SID
180678033
PubChem CID
46311486

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD241340 Please log in.
Data Source Data ID
PubChem 46311486 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.5072474  LogD (pH = 7.4) 2.5072474 
Log P 2.5072474  Molar Refractivity 54.7025 cm3
Polarizability 21.206232 Å3 Polar Surface Area 48.42 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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