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26786-28-7 molecular structure
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5-bromo-2-phenylpyrimidin-4-ol

ChemBase ID: 798843
Molecular Formular: C10H7BrN2O
Molecular Mass: 251.07938
Monoisotopic Mass: 249.97417485
SMILES and InChIs

SMILES:
c1(c(nc(nc1)c1ccccc1)O)Br
Canonical SMILES:
Brc1cnc(nc1O)c1ccccc1
InChI:
InChI=1S/C10H7BrN2O/c11-8-6-12-9(13-10(8)14)7-4-2-1-3-5-7/h1-6H,(H,12,13,14)
InChIKey:
MWZGHIGOSHTXGY-UHFFFAOYSA-N

Cite this record

CBID:798843 http://www.chembase.cn/molecule-798843.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-bromo-2-phenylpyrimidin-4-ol
IUPAC Traditional name
5-bromo-2-phenylpyrimidin-4-ol
Synonyms
5-bromo-2-phenyl-pyrimidin-4-ol
CAS Number
26786-28-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O12452 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O12452 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.584874  H Acceptors
H Donor LogD (pH = 5.5) 3.5167265 
LogD (pH = 7.4) 3.5164566  Log P 3.5167327 
Molar Refractivity 68.0506 cm3 Polarizability 22.204306 Å3
Polar Surface Area 46.01 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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