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67367-24-2 molecular structure
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methyl 4-hydroxypyridine-3-carboxylate

ChemBase ID: 797672
Molecular Formular: C7H7NO3
Molecular Mass: 153.13538
Monoisotopic Mass: 153.04259309
SMILES and InChIs

SMILES:
O(C(=O)c1c(ccnc1)O)C
Canonical SMILES:
COC(=O)c1cnccc1O
InChI:
InChI=1S/C7H7NO3/c1-11-7(10)5-4-8-3-2-6(5)9/h2-4H,1H3,(H,8,9)
InChIKey:
IHBXKOZLARNEHF-UHFFFAOYSA-N

Cite this record

CBID:797672 http://www.chembase.cn/molecule-797672.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 4-hydroxypyridine-3-carboxylate
IUPAC Traditional name
methyl 4-hydroxypyridine-3-carboxylate
Synonyms
Methyl 4-hydroxynicotinate
CAS Number
67367-24-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O9477 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O9477 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.331593  H Acceptors
H Donor LogD (pH = 5.5) 1.1053324 
LogD (pH = 7.4) 1.1049811  Log P 1.1054851 
Molar Refractivity 37.9073 cm3 Polarizability 14.51798 Å3
Polar Surface Area 59.42 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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