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25218-99-9 molecular structure
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N-(6-bromopyridin-2-yl)acetamide

ChemBase ID: 795812
Molecular Formular: C7H7BrN2O
Molecular Mass: 215.04728
Monoisotopic Mass: 213.97417485
SMILES and InChIs

SMILES:
CC(=O)Nc1nc(ccc1)Br
Canonical SMILES:
CC(=O)Nc1cccc(n1)Br
InChI:
InChI=1S/C7H7BrN2O/c1-5(11)9-7-4-2-3-6(8)10-7/h2-4H,1H3,(H,9,10,11)
InChIKey:
AZKOTMZRXXAOOB-UHFFFAOYSA-N

Cite this record

CBID:795812 http://www.chembase.cn/molecule-795812.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(6-bromopyridin-2-yl)acetamide
IUPAC Traditional name
N-(6-bromopyridin-2-yl)acetamide
Synonyms
N-(6-BroMopyridin-2-yl)acetaMide
CAS Number
25218-99-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O687 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O687 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.093687  H Acceptors
H Donor LogD (pH = 5.5) 1.5620127 
LogD (pH = 7.4) 1.5620075  Log P 1.5620159 
Molar Refractivity 47.5426 cm3 Polarizability 17.287178 Å3
Polar Surface Area 41.99 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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INTERNET

INTERNET

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