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155789-99-4 molecular structure
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5-bromo-N,4-dimethylpyridin-2-amine

ChemBase ID: 49208
Molecular Formular: C7H9BrN2
Molecular Mass: 201.06376
Monoisotopic Mass: 199.9949103
SMILES and InChIs

SMILES:
n1c(cc(c(c1)Br)C)NC
Canonical SMILES:
CNc1ncc(c(c1)C)Br
InChI:
InChI=1S/C7H9BrN2/c1-5-3-7(9-2)10-4-6(5)8/h3-4H,1-2H3,(H,9,10)
InChIKey:
DRIWBIDASVEIBC-UHFFFAOYSA-N

Cite this record

CBID:49208 http://www.chembase.cn/molecule-49208.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-bromo-N,4-dimethylpyridin-2-amine
IUPAC Traditional name
5-bromo-N,4-dimethylpyridin-2-amine
Synonyms
5-BROMO-2-METHYLAMINO-4-PICOLINE
5-Bromo-N,4-dimethyl-2-pyridinamine
CAS Number
155789-99-4
MDL Number
MFCD07375098
PubChem SID
162053971
PubChem CID
14929583

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 14929583 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.646702  LogD (pH = 7.4) 2.0942054 
Log P 2.104983  Molar Refractivity 47.0724 cm3
Polarizability 17.001862 Å3 Polar Surface Area 24.92 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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