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1214342-60-5 molecular structure
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3-bromo-5-fluoropyridin-4-ol

ChemBase ID: 98182
Molecular Formular: C5H3BrFNO
Molecular Mass: 191.9858232
Monoisotopic Mass: 190.93820394
SMILES and InChIs

SMILES:
n1cc(c(c(c1)F)O)Br
Canonical SMILES:
Oc1c(F)cncc1Br
InChI:
InChI=1S/C5H3BrFNO/c6-3-1-8-2-4(7)5(3)9/h1-2H,(H,8,9)
InChIKey:
GNXBRKDCLLYOHE-UHFFFAOYSA-N

Cite this record

CBID:98182 http://www.chembase.cn/molecule-98182.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-bromo-5-fluoropyridin-4-ol
IUPAC Traditional name
3-bromo-5-fluoropyridin-4-ol
Synonyms
3-Bromo-5-fluoropyridin-4-ol
3-Bromo-5-fluoro-4-hydroxypyridine
CAS Number
1214342-60-5
PubChem SID
162084639
PubChem CID
57415741

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
PC51116 external link Add to cart Please log in.
Data Source Data ID
PubChem 57415741 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.418868  H Acceptors
H Donor LogD (pH = 5.5) 1.3629513 
LogD (pH = 7.4) 1.3248016  Log P 1.3634627 
Molar Refractivity 33.7212 cm3 Polarizability 12.923369 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/Light Sensitive/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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