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1214345-95-5 molecular structure
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methyl 3-bromo-6-hydroxypyridine-2-carboxylate

ChemBase ID: 290690
Molecular Formular: C7H6BrNO3
Molecular Mass: 232.03144
Monoisotopic Mass: 230.95310506
SMILES and InChIs

SMILES:
O=C(OC)c1nc(O)ccc1Br
Canonical SMILES:
COC(=O)c1nc(O)ccc1Br
InChI:
InChI=1S/C7H6BrNO3/c1-12-7(11)6-4(8)2-3-5(10)9-6/h2-3H,1H3,(H,9,10)
InChIKey:
GJWFRHKBTWEROR-UHFFFAOYSA-N

Cite this record

CBID:290690 http://www.chembase.cn/molecule-290690.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 3-bromo-6-hydroxypyridine-2-carboxylate
IUPAC Traditional name
methyl 3-bromo-6-hydroxypyridine-2-carboxylate
Synonyms
Methyl 3-bromo-6-hydroxypicolinate
CAS Number
1214345-95-5
PubChem SID
180676221
PubChem CID
46311219

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD230027 Please log in.
Data Source Data ID
PubChem 46311219 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.614073  H Acceptors
H Donor LogD (pH = 5.5) 2.004542 
LogD (pH = 7.4) 2.0042837  Log P 2.0045455 
Molar Refractivity 45.4716 cm3 Polarizability 17.556932 Å3
Polar Surface Area 59.42 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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