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1279894-03-9 molecular structure
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4,8-dichloro-1,7-naphthyridine

ChemBase ID: 63548
Molecular Formular: C8H4Cl2N2
Molecular Mass: 199.03676
Monoisotopic Mass: 197.9751535
SMILES and InChIs

SMILES:
c1cnc2c(ccnc2Cl)c1Cl
Canonical SMILES:
Clc1ccnc2c1ccnc2Cl
InChI:
InChI=1S/C8H4Cl2N2/c9-6-2-4-11-7-5(6)1-3-12-8(7)10/h1-4H
InChIKey:
WHJPXKCFKJMNKT-UHFFFAOYSA-N

Cite this record

CBID:63548 http://www.chembase.cn/molecule-63548.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4,8-dichloro-1,7-naphthyridine
IUPAC Traditional name
4,8-dichloro-1,7-naphthyridine
Synonyms
4,8-Dichloro-1,7-naphthyridine
CAS Number
1279894-03-9
MDL Number
MFCD18432768
PubChem SID
162029287
PubChem CID
66521678

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
068866 external link Add to cart Please log in.
Data Source Data ID
PubChem 66521678 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.3414826  LogD (pH = 7.4) 2.3414943 
Log P 2.3414946  Molar Refractivity 48.4933 cm3
Polarizability 19.88232 Å3 Polar Surface Area 25.78 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
>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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