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86869-14-9 molecular structure
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5-hydroxypyridine-2-carbonitrile

ChemBase ID: 88777
Molecular Formular: C6H4N2O
Molecular Mass: 120.10876
Monoisotopic Mass: 120.03236276
SMILES and InChIs

SMILES:
n1c(ccc(c1)O)C#N
Canonical SMILES:
N#Cc1ccc(cn1)O
InChI:
InChI=1S/C6H4N2O/c7-3-5-1-2-6(9)4-8-5/h1-2,4,9H
InChIKey:
YUEKWNYGXNDQRO-UHFFFAOYSA-N

Cite this record

CBID:88777 http://www.chembase.cn/molecule-88777.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-hydroxypyridine-2-carbonitrile
IUPAC Traditional name
5-hydroxypyridine-2-carbonitrile
Synonyms
5-Hydroxypicolinonitrile
2-Cyano-5-hydroxypyridine
6-Cyanopyridin-3-ol
5-Hydroxypyridine-2-carbonitrile
2-Cyano-5-hydroxypyridine
CAS Number
86869-14-9
PubChem SID
162075684
PubChem CID
21413773

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 7.1590314  H Acceptors
H Donor LogD (pH = 5.5) 0.68471044 
LogD (pH = 7.4) 0.270491  Log P 0.6939546 
Molar Refractivity 31.2316 cm3 Polarizability 11.886456 Å3
Polar Surface Area 56.91 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Harmful/Irritant expand Show data source
Purity
95+% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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