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143328-90-9 molecular structure
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5-fluoro-2-phenylpyrimidin-4-ol

ChemBase ID: 798841
Molecular Formular: C10H7FN2O
Molecular Mass: 190.1737832
Monoisotopic Mass: 190.05424107
SMILES and InChIs

SMILES:
c1(c(nc(nc1)c1ccccc1)O)F
Canonical SMILES:
Fc1cnc(nc1O)c1ccccc1
InChI:
InChI=1S/C10H7FN2O/c11-8-6-12-9(13-10(8)14)7-4-2-1-3-5-7/h1-6H,(H,12,13,14)
InChIKey:
BGEFHHAZUZUAPY-UHFFFAOYSA-N

Cite this record

CBID:798841 http://www.chembase.cn/molecule-798841.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-fluoro-2-phenylpyrimidin-4-ol
IUPAC Traditional name
5-fluoro-2-phenylpyrimidin-4-ol
Synonyms
5-fluoro-2-phenyl-pyrimidin-4-ol
CAS Number
143328-90-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.027623  H Acceptors
H Donor LogD (pH = 5.5) 2.8919556 
LogD (pH = 7.4) 2.891858  Log P 2.8919575 
Molar Refractivity 60.6442 cm3 Polarizability 19.08608 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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