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1060804-53-6 molecular structure
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2-chloro-5-hydroxypyridine-4-carbaldehyde

ChemBase ID: 815047
Molecular Formular: C6H4ClNO2
Molecular Mass: 157.55446
Monoisotopic Mass: 156.99305605
SMILES and InChIs

SMILES:
c1(cc(ncc1O)Cl)C=O
Canonical SMILES:
O=Cc1cc(Cl)ncc1O
InChI:
InChI=1S/C6H4ClNO2/c7-6-1-4(3-9)5(10)2-8-6/h1-3,10H
InChIKey:
HZSDMQCOOUNXRC-UHFFFAOYSA-N

Cite this record

CBID:815047 http://www.chembase.cn/molecule-815047.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-5-hydroxypyridine-4-carbaldehyde
IUPAC Traditional name
2-chloro-5-hydroxypyridine-4-carbaldehyde
Synonyms
2-chloro-5-hydroxyisonicotinaldehyde
CAS Number
1060804-53-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O37298 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O37298 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 7.2365904  H Acceptors
H Donor LogD (pH = 5.5) 1.6310211 
LogD (pH = 7.4) 1.2626007  Log P 1.6387323 
Molar Refractivity 38.3321 cm3 Polarizability 13.961918 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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