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867267-28-5 molecular structure
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5-hydroxy-2-methoxypyridine-4-carbaldehyde

ChemBase ID: 814076
Molecular Formular: C7H7NO3
Molecular Mass: 153.13538
Monoisotopic Mass: 153.04259309
SMILES and InChIs

SMILES:
c1(cc(ncc1O)OC)C=O
Canonical SMILES:
COc1ncc(c(c1)C=O)O
InChI:
InChI=1S/C7H7NO3/c1-11-7-2-5(4-9)6(10)3-8-7/h2-4,10H,1H3
InChIKey:
GRJJLRLFOQLVKR-UHFFFAOYSA-N

Cite this record

CBID:814076 http://www.chembase.cn/molecule-814076.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-hydroxy-2-methoxypyridine-4-carbaldehyde
IUPAC Traditional name
5-hydroxy-2-methoxypyridine-4-carbaldehyde
Synonyms
5-hydroxy-2-methoxyisonicotinaldehyde
CAS Number
867267-28-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O36212 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O36212 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.137988  H Acceptors
H Donor LogD (pH = 5.5) 1.2502964 
LogD (pH = 7.4) 1.1800256  Log P 1.2512966 
Molar Refractivity 39.2427 cm3 Polarizability 14.517054 Å3
Polar Surface Area 59.42 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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