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5521-57-3 molecular structure
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5-bromo-N,N-dimethylpyridin-2-amine

ChemBase ID: 48643
Molecular Formular: C7H9BrN2
Molecular Mass: 201.06376
Monoisotopic Mass: 199.9949103
SMILES and InChIs

SMILES:
n1c(N(C)C)ccc(c1)Br
Canonical SMILES:
Brc1ccc(nc1)N(C)C
InChI:
InChI=1S/C7H9BrN2/c1-10(2)7-4-3-6(8)5-9-7/h3-5H,1-2H3
InChIKey:
XIMCGXXYEMOWQP-UHFFFAOYSA-N

Cite this record

CBID:48643 http://www.chembase.cn/molecule-48643.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-bromo-N,N-dimethylpyridin-2-amine
IUPAC Traditional name
5-bromo-N,N-dimethylpyridin-2-amine
Synonyms
N-(5-Bromo-2-pyridinyl)-N,N-dimethylamine
5-Bromo-N,N-dimethylpyridin-2-amine
5-Bromo-2-(dimethylamino)pyridine
5-BROMO-2-DIMETHYLAMINOPYRIDINE
5-Bromo-N,N-dimethylpyridin-2-amine
CAS Number
5521-57-3
26163-07-5
MDL Number
MFCD00099486
PubChem SID
162053406
PubChem CID
3803041

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.1616087  LogD (pH = 7.4) 2.2259376 
Log P 2.2268274  Molar Refractivity 46.266 cm3
Polarizability 17.071264 Å3 Polar Surface Area 16.13 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
39-43°C expand Show data source
Storage Warning
Harmful/Irritant/Light Sensitive/Store under Argon expand Show data source
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95+% expand Show data source
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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