Home > Compound List > Compound details
223788-08-7 molecular structure
click picture or here to close

methyl 6-hydroxy-2-methylpyridine-3-carboxylate

ChemBase ID: 282751
Molecular Formular: C8H9NO3
Molecular Mass: 167.16196
Monoisotopic Mass: 167.05824315
SMILES and InChIs

SMILES:
c1(c(nc(cc1)O)C)C(=O)OC
Canonical SMILES:
COC(=O)c1ccc(nc1C)O
InChI:
InChI=1S/C8H9NO3/c1-5-6(8(11)12-2)3-4-7(10)9-5/h3-4H,1-2H3,(H,9,10)
InChIKey:
NYZKFYQERYBEAB-UHFFFAOYSA-N

Cite this record

CBID:282751 http://www.chembase.cn/molecule-282751.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 6-hydroxy-2-methylpyridine-3-carboxylate
IUPAC Traditional name
methyl 6-hydroxy-2-methylpyridine-3-carboxylate
Synonyms
methyl 6-hydroxy-2-methylpyridine-3-carboxylate
methyl 6-hydroxy-2-methylnicotinate
CAS Number
223788-08-7
MDL Number
MFCD11616140
PubChem SID
180668282
PubChem CID
11788501

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 11788501 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.512621  H Acceptors
H Donor LogD (pH = 5.5) 1.1812562 
LogD (pH = 7.4) 1.1809814  Log P 1.1813127 
Molar Refractivity 42.8123 cm3 Polarizability 16.275162 Å3
Polar Surface Area 59.42 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
222 - 224°C expand Show data source
Hydrophobicity(logP)
1.635 expand Show data source
Purity
95% 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