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22280-02-0 molecular structure
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3-methylpyridin-4-ol

ChemBase ID: 67112
Molecular Formular: C6H7NO
Molecular Mass: 109.12588
Monoisotopic Mass: 109.05276385
SMILES and InChIs

SMILES:
c1c(c(ccn1)O)C
Canonical SMILES:
Cc1cnccc1O
InChI:
InChI=1S/C6H7NO/c1-5-4-7-3-2-6(5)8/h2-4H,1H3,(H,7,8)
InChIKey:
RZUBLMCZJPIOPF-UHFFFAOYSA-N

Cite this record

CBID:67112 http://www.chembase.cn/molecule-67112.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-methylpyridin-4-ol
IUPAC Traditional name
3-methylpyridin-4-ol
Synonyms
3-Methylpyridin-4-ol
4-Hydroxy-3-methylpyridine
3-Methyl-4-hydroxypyridine
4-Hydroxy-2-picoline
3-Methyl-4-pyridinol
4-Hydroxy-3-methylpyridine
4-羟基-3-甲基吡啶
CAS Number
22280-02-0
MDL Number
MFCD04114239
PubChem SID
162032848
PubChem CID
2762918

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.968689  H Acceptors
H Donor LogD (pH = 5.5) 0.96035695 
LogD (pH = 7.4) 0.9652484  Log P 0.9654295 
Molar Refractivity 30.9232 cm3 Polarizability 11.795068 Å3
Polar Surface Area 33.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
168(dec.)°C expand Show data source
ca 168°C dec. expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
false expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P280G-P305+P351+P338 expand Show data source
Purity
95+% expand Show data source
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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