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1060806-83-8 molecular structure
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methyl 6-hydroxy-2-methoxypyridine-3-carboxylate

ChemBase ID: 814761
Molecular Formular: C8H9NO4
Molecular Mass: 183.16136
Monoisotopic Mass: 183.05315777
SMILES and InChIs

SMILES:
O(C(=O)c1ccc(nc1OC)O)C
Canonical SMILES:
COC(=O)c1ccc(nc1OC)O
InChI:
InChI=1S/C8H9NO4/c1-12-7-5(8(11)13-2)3-4-6(10)9-7/h3-4H,1-2H3,(H,9,10)
InChIKey:
PJYUHVWZBXPRKR-UHFFFAOYSA-N

Cite this record

CBID:814761 http://www.chembase.cn/molecule-814761.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 6-hydroxy-2-methoxypyridine-3-carboxylate
IUPAC Traditional name
methyl 6-hydroxy-2-methoxypyridine-3-carboxylate
Synonyms
methyl 6-hydroxy-2-methoxynicotinate
CAS Number
1060806-83-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O36989 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O36989 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.513785  H Acceptors
H Donor LogD (pH = 5.5) 1.4867246 
LogD (pH = 7.4) 1.4863993  Log P 1.4867288 
Molar Refractivity 44.9975 cm3 Polarizability 17.083635 Å3
Polar Surface Area 68.65 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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