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1060809-85-9 molecular structure
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4-hydroxypyridine-2-carbaldehyde

ChemBase ID: 801141
Molecular Formular: C6H5NO2
Molecular Mass: 123.1094
Monoisotopic Mass: 123.03202841
SMILES and InChIs

SMILES:
n1c(cc(cc1)O)C=O
Canonical SMILES:
Oc1cc(C=O)ncc1
InChI:
InChI=1S/C6H5NO2/c8-4-5-3-6(9)1-2-7-5/h1-4H,(H,7,9)
InChIKey:
KBYYSTCVMSMKSP-UHFFFAOYSA-N

Cite this record

CBID:801141 http://www.chembase.cn/molecule-801141.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-hydroxypyridine-2-carbaldehyde
IUPAC Traditional name
4-hydroxypyridine-2-carbaldehyde
Synonyms
4-HYDROXY-PYRIDINE-2-CARBALDEHYDE
CAS Number
1060809-85-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O17455 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O17455 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.583895  H Acceptors
H Donor LogD (pH = 5.5) 0.8383643 
LogD (pH = 7.4) 0.8362627  Log P 0.8390535 
Molar Refractivity 32.0808 cm3 Polarizability 11.961114 Å3
Polar Surface Area 50.19 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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