Home > Compound List > Compound details
1227574-65-3 molecular structure
click picture or here to close

2-methoxy-5-methylpyridin-3-ol

ChemBase ID: 51602
Molecular Formular: C7H9NO2
Molecular Mass: 139.15186
Monoisotopic Mass: 139.06332853
SMILES and InChIs

SMILES:
c1(cnc(c(c1)O)OC)C
Canonical SMILES:
COc1ncc(cc1O)C
InChI:
InChI=1S/C7H9NO2/c1-5-3-6(9)7(10-2)8-4-5/h3-4,9H,1-2H3
InChIKey:
JRDKEJRENRFMIP-UHFFFAOYSA-N

Cite this record

CBID:51602 http://www.chembase.cn/molecule-51602.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methoxy-5-methylpyridin-3-ol
IUPAC Traditional name
2-methoxy-5-methylpyridin-3-ol
Synonyms
2-Methoxy-5-methylpyridin-3-ol
2-Methoxy-5-methylpyridin-3-ol
CAS Number
1227574-65-3
MDL Number
MFCD15530275
PubChem SID
162056365
PubChem CID
46318123

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.341679  H Acceptors
H Donor LogD (pH = 5.5) 1.3958396 
LogD (pH = 7.4) 1.3972604  Log P 1.4022157 
Molar Refractivity 37.6999 cm3 Polarizability 14.335472 Å3
Polar Surface Area 42.35 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
97% expand Show data source
Empirical Formula (Hill Notation)
C7H9NO2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - ADE000770 external link
Other Notes
Please note that Sigma-Aldrich does not collect analytical data for AldrichCPR products and that all sales are final.All AldrichCPR products, and other building blocks or screening compounds that are part of this collection, are also available as custom packaged libraries - for more details about this service or for further information on this product, please contact us at AldrichCPR@sial.com
Legal Information
Product of Adesis

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle