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1060805-66-4 molecular structure
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4-bromo-6-chloropyridine-2-carboxylic acid

ChemBase ID: 813659
Molecular Formular: C6H3BrClNO2
Molecular Mass: 236.45052
Monoisotopic Mass: 234.90356802
SMILES and InChIs

SMILES:
OC(=O)c1cc(cc(n1)Cl)Br
Canonical SMILES:
Brc1cc(Cl)nc(c1)C(=O)O
InChI:
InChI=1S/C6H3BrClNO2/c7-3-1-4(6(10)11)9-5(8)2-3/h1-2H,(H,10,11)
InChIKey:
LURFXJAIIJVQFA-UHFFFAOYSA-N

Cite this record

CBID:813659 http://www.chembase.cn/molecule-813659.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-bromo-6-chloropyridine-2-carboxylic acid
IUPAC Traditional name
4-bromo-6-chloropyridine-2-carboxylic acid
Synonyms
4-bromo-6-chloropicolinic acid
CAS Number
1060805-66-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.5321715  H Acceptors
H Donor LogD (pH = 5.5) 0.4309257 
LogD (pH = 7.4) -0.9736516  Log P 2.3919811 
Molar Refractivity 44.2742 cm3 Polarizability 16.890009 Å3
Polar Surface Area 50.19 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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