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126325-48-2 molecular structure
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2-bromo-6-methylpyridin-3-amine

ChemBase ID: 70660
Molecular Formular: C6H7BrN2
Molecular Mass: 187.03718
Monoisotopic Mass: 185.97926023
SMILES and InChIs

SMILES:
c1(c(ccc(n1)C)N)Br
Canonical SMILES:
Cc1ccc(c(n1)Br)N
InChI:
InChI=1S/C6H7BrN2/c1-4-2-3-5(8)6(7)9-4/h2-3H,8H2,1H3
InChIKey:
KLVZEEUNGGOROA-UHFFFAOYSA-N

Cite this record

CBID:70660 http://www.chembase.cn/molecule-70660.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromo-6-methylpyridin-3-amine
IUPAC Traditional name
2-bromo-6-methylpyridin-3-amine
Synonyms
3-Amino-2-bromo-6-picoline
2-bromo-6-methylpyridin-3-amine
2-Bromo-6-methylpyridin-3-amine
3-Amino-2-bromo-6-methylpyridine
CAS Number
126325-48-2
126325-53-9
MDL Number
MFCD03095078
PubChem SID
162036373
PubChem CID
14418051

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.031805  LogD (pH = 7.4) 1.032286 
Log P 1.0322922  Molar Refractivity 41.658 cm3
Polarizability 15.248649 Å3 Polar Surface Area 38.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.853 expand Show data source
Storage Warning
Harmful/Irritant/Keep Cold 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
95+% expand Show data source
97% 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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