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885952-26-1 molecular structure
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2-(benzyloxy)pyridin-3-ol

ChemBase ID: 296445
Molecular Formular: C12H11NO2
Molecular Mass: 201.22124
Monoisotopic Mass: 201.0789786
SMILES and InChIs

SMILES:
c1ccc(cc1)COc1c(cccn1)O
Canonical SMILES:
Oc1cccnc1OCc1ccccc1
InChI:
InChI=1S/C12H11NO2/c14-11-7-4-8-13-12(11)15-9-10-5-2-1-3-6-10/h1-8,14H,9H2
InChIKey:
BTQJWSSEBZRZKZ-UHFFFAOYSA-N

Cite this record

CBID:296445 http://www.chembase.cn/molecule-296445.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(benzyloxy)pyridin-3-ol
IUPAC Traditional name
2-(benzyloxy)pyridin-3-ol
Synonyms
2-Benzyloxy-3-pyridinol
2-Benzyloxy-3-hydroxypyridine
2-苄氧基-3-羟基吡啶
CAS Number
885952-26-1
MDL Number
MFCD06798282
PubChem SID
180681976
PubChem CID
42553026

DATA SOURCES

DATA SOURCES

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Alfa Aesar
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Data Source Data ID
PubChem 42553026 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.183726  H Acceptors
H Donor LogD (pH = 5.5) 2.6112554 
LogD (pH = 7.4) 2.606287  Log P 2.6132674 
Molar Refractivity 57.2713 cm3 Polarizability 22.146461 Å3
Polar Surface Area 42.35 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
70-72°C expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
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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