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10261-82-2 molecular structure
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1,2-dihydro-1,5-naphthyridin-2-one

ChemBase ID: 288491
Molecular Formular: C8H6N2O
Molecular Mass: 146.14604
Monoisotopic Mass: 146.04801282
SMILES and InChIs

SMILES:
O=c1[nH]c2cccnc2cc1
Canonical SMILES:
O=c1ccc2c([nH]1)cccn2
InChI:
InChI=1S/C8H6N2O/c11-8-4-3-6-7(10-8)2-1-5-9-6/h1-5H,(H,10,11)
InChIKey:
OJFSCKNLUYOABN-UHFFFAOYSA-N

Cite this record

CBID:288491 http://www.chembase.cn/molecule-288491.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,2-dihydro-1,5-naphthyridin-2-one
IUPAC Traditional name
1H-1,5-naphthyridin-2-one
Synonyms
1,5-Naphthyridin-2(1H)-one
CAS Number
10261-82-2
PubChem SID
180674022
PubChem CID
589680

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD208229 Please log in.
Data Source Data ID
PubChem 589680 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.6946125  H Acceptors
H Donor LogD (pH = 5.5) 0.600884 
LogD (pH = 7.4) 0.6129724  Log P 0.61313105 
Molar Refractivity 42.6752 cm3 Polarizability 15.2564945 Å3
Polar Surface Area 41.99 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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