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23616-31-1 molecular structure
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1,6-naphthyridin-5-ol

ChemBase ID: 812814
Molecular Formular: C8H6N2O
Molecular Mass: 146.14604
Monoisotopic Mass: 146.04801282
SMILES and InChIs

SMILES:
c1cnc2ccnc(c2c1)O
Canonical SMILES:
Oc1nccc2c1cccn2
InChI:
InChI=1S/C8H6N2O/c11-8-6-2-1-4-9-7(6)3-5-10-8/h1-5H,(H,10,11)
InChIKey:
WTYLPQUOPMMOQW-UHFFFAOYSA-N

Cite this record

CBID:812814 http://www.chembase.cn/molecule-812814.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,6-naphthyridin-5-ol
IUPAC Traditional name
1,6-naphthyridin-5-ol
Synonyms
1,6-NAPHTHYRIDIN-5-OL
CAS Number
23616-31-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O33501 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O33501 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.294031  H Acceptors
H Donor LogD (pH = 5.5) 1.2040137 
LogD (pH = 7.4) 1.2035722  Log P 1.2041203 
Molar Refractivity 40.1168 cm3 Polarizability 16.664782 Å3
Polar Surface Area 46.01 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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