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186593-26-0 molecular structure
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5-nitropyridin-3-ol

ChemBase ID: 294404
Molecular Formular: C5H4N2O3
Molecular Mass: 140.09686
Monoisotopic Mass: 140.022192
SMILES and InChIs

SMILES:
Oc1cc([N+](=O)[O-])cnc1
Canonical SMILES:
[O-][N+](=O)c1cc(O)cnc1
InChI:
InChI=1S/C5H4N2O3/c8-5-1-4(7(9)10)2-6-3-5/h1-3,8H
InChIKey:
GFNBWBJRTVNLMH-UHFFFAOYSA-N

Cite this record

CBID:294404 http://www.chembase.cn/molecule-294404.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-nitropyridin-3-ol
IUPAC Traditional name
5-nitropyridin-3-ol
Synonyms
5-Nitropyridin-3-ol
CAS Number
186593-26-0
PubChem SID
180679935
PubChem CID
2762905

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD87286 Please log in.
Data Source Data ID
PubChem 2762905 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 7.054081  H Acceptors
H Donor LogD (pH = 5.5) 0.38032138 
LogD (pH = 7.4) -0.09308588  Log P 0.39199227 
Molar Refractivity 32.2025 cm3 Polarizability 12.041766 Å3
Polar Surface Area 76.26 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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