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1121-78-4 molecular structure
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6-methylpyridin-3-ol

ChemBase ID: 67772
Molecular Formular: C6H7NO
Molecular Mass: 109.12588
Monoisotopic Mass: 109.05276385
SMILES and InChIs

SMILES:
c1(ccc(cn1)O)C
Canonical SMILES:
Cc1ccc(cn1)O
InChI:
InChI=1S/C6H7NO/c1-5-2-3-6(8)4-7-5/h2-4,8H,1H3
InChIKey:
DHLUJPLHLZJUBW-UHFFFAOYSA-N

Cite this record

CBID:67772 http://www.chembase.cn/molecule-67772.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-methylpyridin-3-ol
IUPAC Traditional name
3-pyridinol, 6-methyl-
Synonyms
5-Hydroxy-2-methylpyridine
6-Methyl-3-pyridinol
5-Hydroxy-2-methylpyridine
2-METHYL-5-HYDROXYPYRIDINE
5-Hydroxy-2-picoline
6-Methylpyridin-3-ol
6-Methylpyridin-3-ol
6-甲基-3-吡啶醇
5-羟基-2-甲基吡啶
CAS Number
1121-78-4
EC Number
214-337-8
MDL Number
MFCD00006339
Beilstein Number
107077
PubChem SID
162033507
24846760
PubChem CID
14275

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.625812  H Acceptors
H Donor LogD (pH = 5.5) 0.13835017 
LogD (pH = 7.4) 0.57012206  Log P 0.58337826 
Molar Refractivity 30.4735 cm3 Polarizability 11.797261 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
167-171°C expand Show data source
168-170 °C(lit.) expand Show data source
Storage Warning
Harmful expand Show data source
IRRITANT expand Show data source
RTECS
UU7714900 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22-37/38-41 expand Show data source
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
26-39 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302-H315-H318-H335 expand Show data source
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P280-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
95+% expand Show data source
98% expand Show data source
99% expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C6H7NO expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05224972 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 107263 external link
Application
Ligand of a platinum complex which showed protein kinase inhibitory action at nanomolar levels.1 Forms a chiral pyridinium ionic liquid on reaction with L-menthol chloromethyl ether.2
Packaging
25, 100 g in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Starting material for two different diastereoselective synthetic routes to the antibiotic L-azatyrosine: J. Org. Chem., 59, 6850 (1994); 61, 813 (1996).
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PATENTS

PATENTS

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INTERNET

INTERNET

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