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1199556-78-9 molecular structure
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6-chloro-3-phenyl-1,2-dihydro-1,5-naphthyridin-2-one

ChemBase ID: 65900
Molecular Formular: C14H9ClN2O
Molecular Mass: 256.68706
Monoisotopic Mass: 256.0403406
SMILES and InChIs

SMILES:
c1c(nc2c(c1)[nH]c(=O)c(c2)c1ccccc1)Cl
Canonical SMILES:
Clc1ccc2c(n1)cc(c(=O)[nH]2)c1ccccc1
InChI:
InChI=1S/C14H9ClN2O/c15-13-7-6-11-12(16-13)8-10(14(18)17-11)9-4-2-1-3-5-9/h1-8H,(H,17,18)
InChIKey:
GNCGKMPJUFFJRQ-UHFFFAOYSA-N

Cite this record

CBID:65900 http://www.chembase.cn/molecule-65900.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-chloro-3-phenyl-1,2-dihydro-1,5-naphthyridin-2-one
IUPAC Traditional name
6-chloro-3-phenyl-1H-1,5-naphthyridin-2-one
Synonyms
6-Chloro-3-phenyl-1,5-naphthyridin-2(1H)-one
CAS Number
1199556-78-9
MDL Number
MFCD18434510
PubChem SID
162031639
PubChem CID
66524919

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 66524919 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.317645  H Acceptors
H Donor LogD (pH = 5.5) 3.10544 
LogD (pH = 7.4) 3.1054356  Log P 3.1054406 
Molar Refractivity 72.9934 cm3 Polarizability 26.84082 Å3
Polar Surface Area 41.99 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
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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