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1026796-81-5 molecular structure
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N-(4-bromopyridin-2-yl)acetamide

ChemBase ID: 291997
Molecular Formular: C7H7BrN2O
Molecular Mass: 215.04728
Monoisotopic Mass: 213.97417485
SMILES and InChIs

SMILES:
CC(=O)Nc1nccc(Br)c1
Canonical SMILES:
CC(=O)Nc1cc(Br)ccn1
InChI:
InChI=1S/C7H7BrN2O/c1-5(11)10-7-4-6(8)2-3-9-7/h2-4H,1H3,(H,9,10,11)
InChIKey:
LFMGMKPLBDZJLP-UHFFFAOYSA-N

Cite this record

CBID:291997 http://www.chembase.cn/molecule-291997.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(4-bromopyridin-2-yl)acetamide
IUPAC Traditional name
N-(4-bromopyridin-2-yl)acetamide
Synonyms
N-(4-Bromopyridin-2-yl)acetamide
CAS Number
1026796-81-5
PubChem SID
180677528
PubChem CID
59529635

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD239575 Please log in.
Data Source Data ID
PubChem 59529635 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.089521  H Acceptors
H Donor LogD (pH = 5.5) 1.3552611 
LogD (pH = 7.4) 1.3564699  Log P 1.356494 
Molar Refractivity 46.7004 cm3 Polarizability 17.235136 Å3
Polar Surface Area 41.99 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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