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1133116-43-4 molecular structure
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N-(6-bromopyridin-2-yl)-N-methylacetamide

ChemBase ID: 290649
Molecular Formular: C8H9BrN2O
Molecular Mass: 229.07386
Monoisotopic Mass: 227.98982492
SMILES and InChIs

SMILES:
CC(=O)N(c1nc(Br)ccc1)C
Canonical SMILES:
CN(c1cccc(n1)Br)C(=O)C
InChI:
InChI=1S/C8H9BrN2O/c1-6(12)11(2)8-5-3-4-7(9)10-8/h3-5H,1-2H3
InChIKey:
ROJDZKLSUROPIP-UHFFFAOYSA-N

Cite this record

CBID:290649 http://www.chembase.cn/molecule-290649.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(6-bromopyridin-2-yl)-N-methylacetamide
IUPAC Traditional name
N-(6-bromopyridin-2-yl)-N-methylacetamide
Synonyms
N-(6-Bromopyridin-2-yl)-N-methylacetamide
CAS Number
1133116-43-4
PubChem SID
180676180
PubChem CID
46739364

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD229901 Please log in.
Data Source Data ID
PubChem 46739364 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.4260819  LogD (pH = 7.4) 1.426082 
Log P 1.426082  Molar Refractivity 50.6585 cm3
Polarizability 19.090027 Å3 Polar Surface Area 33.2 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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