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13466-41-6 molecular structure
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4-methylpyridin-2-ol

ChemBase ID: 148698
Molecular Formular: C6H7NO
Molecular Mass: 109.12588
Monoisotopic Mass: 109.05276385
SMILES and InChIs

SMILES:
Cc1ccnc(c1)O
Canonical SMILES:
Cc1ccnc(c1)O
InChI:
InChI=1S/C6H7NO/c1-5-2-3-7-6(8)4-5/h2-4H,1H3,(H,7,8)
InChIKey:
YBDRFJXGJQULGH-UHFFFAOYSA-N

Cite this record

CBID:148698 http://www.chembase.cn/molecule-148698.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-methylpyridin-2-ol
IUPAC Traditional name
4-methylpyridin-2-ol
Synonyms
4-Methyl-2(1H)-pyridinone
2-Hydroxy-4-methylpyridine
2-HYDROXY-4-METHYLPYRIDINE
2-Hydroxy-4-picoline
4-Methyl-2-pyridinol
4-甲基-2(1H)-吡啶酮
2-羟基-4-甲基吡啶
CAS Number
13466-41-6
EC Number
000-000-0
MDL Number
MFCD00134298
Beilstein Number
107082
PubChem SID
162242873
24862521
PubChem CID
280741

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 280741 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.816542  H Acceptors
H Donor LogD (pH = 5.5) 1.5598799 
LogD (pH = 7.4) 1.5598705  Log P 1.5598869 
Molar Refractivity 31.2367 cm3 Polarizability 11.798633 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
128-131°C expand Show data source
131-134 °C(lit.) expand Show data source
Boiling Point
186-187 °C/12 mmHg(lit.) expand Show data source
186-187°C/12mm expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
26-37/39 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P280G-P305+P351+P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
98% expand Show data source
98+% expand Show data source
99% expand Show data source
Empirical Formula (Hill Notation)
C6H7NO expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 365440 external link
Packaging
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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