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107351-80-4 molecular structure
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3-bromo-5-phenylpyridin-2-amine

ChemBase ID: 10370
Molecular Formular: C11H9BrN2
Molecular Mass: 249.10656
Monoisotopic Mass: 247.9949103
SMILES and InChIs

SMILES:
c1(cnc(c(c1)Br)N)c1ccccc1
Canonical SMILES:
Nc1ncc(cc1Br)c1ccccc1
InChI:
InChI=1S/C11H9BrN2/c12-10-6-9(7-14-11(10)13)8-4-2-1-3-5-8/h1-7H,(H2,13,14)
InChIKey:
SAZYIWJKSVYWFJ-UHFFFAOYSA-N

Cite this record

CBID:10370 http://www.chembase.cn/molecule-10370.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-bromo-5-phenylpyridin-2-amine
IUPAC Traditional name
3-bromo-5-phenylpyridin-2-amine
Synonyms
3-Bromo-5-phenyl-2-pyridinamine
2-Amino-3-bromo-5-phenylpyridine
CAS Number
107351-80-4
MDL Number
MFCD02183569
PubChem SID
160973677
PubChem CID
3306470

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3306470 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.8727548  LogD (pH = 7.4) 2.9362063 
Log P 2.937083  Molar Refractivity 61.674 cm3
Polarizability 24.184881 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)
Solubility
DMF expand Show data source
DMSO expand Show data source
Ethyl Acetate expand Show data source
Methanol expand Show data source
Apperance
Beige Crystalline Solid expand Show data source
Melting Point
113-116°C expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
97% expand Show data source
98% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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