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1003711-30-5 molecular structure
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2-bromo-5-methylpyridin-3-ol

ChemBase ID: 796904
Molecular Formular: C6H6BrNO
Molecular Mass: 188.02194
Monoisotopic Mass: 186.96327582
SMILES and InChIs

SMILES:
n1c(c(cc(c1)C)O)Br
Canonical SMILES:
Cc1cnc(c(c1)O)Br
InChI:
InChI=1S/C6H6BrNO/c1-4-2-5(9)6(7)8-3-4/h2-3,9H,1H3
InChIKey:
UWQRSWWUQJIORD-UHFFFAOYSA-N

Cite this record

CBID:796904 http://www.chembase.cn/molecule-796904.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromo-5-methylpyridin-3-ol
IUPAC Traditional name
2-bromo-5-methylpyridin-3-ol
Synonyms
2-BroMo-5-Methylpyridin-3-ol
CAS Number
1003711-30-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O4871 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O4871 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 7.444612  H Acceptors
H Donor LogD (pH = 5.5) 1.9347013 
LogD (pH = 7.4) 1.6684611  Log P 1.9397041 
Molar Refractivity 39.3882 cm3 Polarizability 14.775883 Å3
Polar Surface Area 33.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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