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1241675-82-0 molecular structure
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6-bromo-3-chloropyridine-2-carboxamide

ChemBase ID: 51715
Molecular Formular: C6H4BrClN2O
Molecular Mass: 235.46576
Monoisotopic Mass: 233.91955244
SMILES and InChIs

SMILES:
c1(c(ccc(n1)Br)Cl)C(=O)N
Canonical SMILES:
Brc1ccc(c(n1)C(=O)N)Cl
InChI:
InChI=1S/C6H4BrClN2O/c7-4-2-1-3(8)5(10-4)6(9)11/h1-2H,(H2,9,11)
InChIKey:
CKMQFOHNKHQQNI-UHFFFAOYSA-N

Cite this record

CBID:51715 http://www.chembase.cn/molecule-51715.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-bromo-3-chloropyridine-2-carboxamide
IUPAC Traditional name
6-bromo-3-chloropyridine-2-carboxamide
Synonyms
6-Bromo-3-chloropyridine-2-carboxamide
CAS Number
1241675-82-0
MDL Number
MFCD16872042
PubChem SID
162056478
PubChem CID
53410264

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 53410264 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.65997  H Acceptors
H Donor LogD (pH = 5.5) 1.5703833 
LogD (pH = 7.4) 1.5703855  Log P 1.5703833 
Molar Refractivity 45.8773 cm3 Polarizability 17.341589 Å3
Polar Surface Area 55.98 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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