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15944-34-0 molecular structure
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7-chloro-1,2-dihydro-1,8-naphthyridin-2-one

ChemBase ID: 798876
Molecular Formular: C8H5ClN2O
Molecular Mass: 180.5911
Monoisotopic Mass: 180.00904047
SMILES and InChIs

SMILES:
c1c(=O)[nH]c2nc(ccc2c1)Cl
Canonical SMILES:
Clc1ccc2c(n1)[nH]c(=O)cc2
InChI:
InChI=1S/C8H5ClN2O/c9-6-3-1-5-2-4-7(12)11-8(5)10-6/h1-4H,(H,10,11,12)
InChIKey:
VOFMYNBQUTUEOS-UHFFFAOYSA-N

Cite this record

CBID:798876 http://www.chembase.cn/molecule-798876.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-chloro-1,2-dihydro-1,8-naphthyridin-2-one
IUPAC Traditional name
7-chloro-1H-1,8-naphthyridin-2-one
Synonyms
7-chloro-1,8-naphthyridin-2(1H)-one
CAS Number
15944-34-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O12568 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O12568 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.986069  H Acceptors
H Donor LogD (pH = 5.5) 1.7981483 
LogD (pH = 7.4) 1.7981386  Log P 1.7981493 
Molar Refractivity 49.3019 cm3 Polarizability 17.225723 Å3
Polar Surface Area 41.99 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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