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1227579-00-1 molecular structure
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2,3-difluoropyridin-4-ol

ChemBase ID: 98190
Molecular Formular: C5H3F2NO
Molecular Mass: 131.0802264
Monoisotopic Mass: 131.01827016
SMILES and InChIs

SMILES:
n1c(c(c(cc1)O)F)F
Canonical SMILES:
Fc1c(O)ccnc1F
InChI:
InChI=1S/C5H3F2NO/c6-4-3(9)1-2-8-5(4)7/h1-2H,(H,8,9)
InChIKey:
FOEUCTQDSCGXLK-UHFFFAOYSA-N

Cite this record

CBID:98190 http://www.chembase.cn/molecule-98190.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,3-difluoropyridin-4-ol
IUPAC Traditional name
2,3-difluoropyridin-4-ol
Synonyms
2,3-Difluoropyridin-4-ol
2,3-Difluoro-4-hydroxypyridine
CAS Number
1227579-00-1
PubChem SID
162084645
PubChem CID
60146079

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
PC51124 external link Add to cart Please log in.
Data Source Data ID
PubChem 60146079 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.907702  H Acceptors
H Donor LogD (pH = 5.5) 1.1311768 
LogD (pH = 7.4) 1.1183813  Log P 1.1313426 
Molar Refractivity 27.3295 cm3 Polarizability 9.667232 Å3
Polar Surface Area 33.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Harmful/Irritant/Store under Argon expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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