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84539-30-0 molecular structure
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5-bromo-N-methylpyridin-2-amine

ChemBase ID: 49215
Molecular Formular: C6H7BrN2
Molecular Mass: 187.03718
Monoisotopic Mass: 185.97926023
SMILES and InChIs

SMILES:
n1c(NC)ccc(c1)Br
Canonical SMILES:
CNc1ccc(cn1)Br
InChI:
InChI=1S/C6H7BrN2/c1-8-6-3-2-5(7)4-9-6/h2-4H,1H3,(H,8,9)
InChIKey:
KHPPOPZLVCZUPV-UHFFFAOYSA-N

Cite this record

CBID:49215 http://www.chembase.cn/molecule-49215.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-bromo-N-methylpyridin-2-amine
IUPAC Traditional name
5-bromo-N-methylpyridin-2-amine
Synonyms
5-Bromo-N-methyl-2-pyridinamine
5-bromo-N-methylpyridin-2-amine
CAS Number
84539-30-0
MDL Number
MFCD08272096
PubChem SID
162053978
PubChem CID
15645663

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.5008879  LogD (pH = 7.4) 1.5902843 
Log P 1.5915617  Molar Refractivity 42.0312 cm3
Polarizability 15.2641325 Å3 Polar Surface Area 24.92 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
69 - 71°C expand Show data source
Hydrophobicity(logP)
2.11 expand Show data source
Storage Warning
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
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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