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1196157-51-3 molecular structure
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2-amino-6-bromopyridine-3-carboxylic acid

ChemBase ID: 289327
Molecular Formular: C6H5BrN2O2
Molecular Mass: 217.0201
Monoisotopic Mass: 215.95343941
SMILES and InChIs

SMILES:
O=C(O)c1c(N)nc(Br)cc1
Canonical SMILES:
Nc1nc(Br)ccc1C(=O)O
InChI:
InChI=1S/C6H5BrN2O2/c7-4-2-1-3(6(10)11)5(8)9-4/h1-2H,(H2,8,9)(H,10,11)
InChIKey:
FGOAIGICMNFDHG-UHFFFAOYSA-N

Cite this record

CBID:289327 http://www.chembase.cn/molecule-289327.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-6-bromopyridine-3-carboxylic acid
IUPAC Traditional name
2-amino-6-bromopyridine-3-carboxylic acid
Synonyms
2-Amino-6-bromonicotinic acid
CAS Number
1196157-51-3
PubChem SID
180674858
PubChem CID
57345823

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 57345823 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.3097153  H Acceptors
H Donor LogD (pH = 5.5) 0.58258396 
LogD (pH = 7.4) -1.1565554  Log P 1.8029625 
Molar Refractivity 44.6362 cm3 Polarizability 16.05247 Å3
Polar Surface Area 76.21 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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