Home > Compound List > Compound details
10128-91-3 molecular structure
click picture or here to close

methyl 2-hydroxypyridine-3-carboxylate

ChemBase ID: 54187
Molecular Formular: C7H7NO3
Molecular Mass: 153.13538
Monoisotopic Mass: 153.04259309
SMILES and InChIs

SMILES:
c1cnc(c(c1)C(=O)OC)O
Canonical SMILES:
COC(=O)c1cccnc1O
InChI:
InChI=1S/C7H7NO3/c1-11-7(10)5-3-2-4-8-6(5)9/h2-4H,1H3,(H,8,9)
InChIKey:
SILBTMNCGYLTOK-UHFFFAOYSA-N

Cite this record

CBID:54187 http://www.chembase.cn/molecule-54187.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 2-hydroxypyridine-3-carboxylate
IUPAC Traditional name
methyl 2-hydroxypyridine-3-carboxylate
Synonyms
2-Hydroxy-nicotinic acid methyl ester
Methyl 2-oxo-1,2-dihydropyridine-3-carboxylate
2-Hydroxynicotinic acid methyl ester
Methyl 2-hydroxynicotinate
Methyl 2-hydroxynicotinate
CAS Number
10128-91-3
67383-31-7
MDL Number
MFCD08275055
MFCD00661282
PubChem SID
162058950
PubChem CID
579028

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.570215  H Acceptors
H Donor LogD (pH = 5.5) 1.6999336 
LogD (pH = 7.4) 1.6999135  Log P 1.6999426 
Molar Refractivity 38.2208 cm3 Polarizability 14.523651 Å3
Polar Surface Area 59.42 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
153-155°C expand Show data source
Storage Warning
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
26-37-60 expand Show data source
TSCA Listed
false expand Show data source
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
97% expand Show data source
98% expand Show data source

DETAILS

DETAILS

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