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909649-12-3 molecular structure
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8-bromo-5-chloro-1,6-naphthyridine

ChemBase ID: 61492
Molecular Formular: C8H4BrClN2
Molecular Mass: 243.48776
Monoisotopic Mass: 241.92463782
SMILES and InChIs

SMILES:
c1ccc2c(n1)c(cnc2Cl)Br
Canonical SMILES:
Brc1cnc(c2c1nccc2)Cl
InChI:
InChI=1S/C8H4BrClN2/c9-6-4-12-8(10)5-2-1-3-11-7(5)6/h1-4H
InChIKey:
LAJYLYMBZVFAEY-UHFFFAOYSA-N

Cite this record

CBID:61492 http://www.chembase.cn/molecule-61492.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
8-bromo-5-chloro-1,6-naphthyridine
IUPAC Traditional name
8-bromo-5-chloro-1,6-naphthyridine
Synonyms
8-Bromo-5-chloro-1,6-naphthyridine
CAS Number
909649-12-3
MDL Number
MFCD08567949
PubChem SID
162027233
PubChem CID
16093129

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
066707 external link Add to cart Please log in.
Data Source Data ID
PubChem 16093129 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.506064  LogD (pH = 7.4) 2.5062008 
Log P 2.5062025  Molar Refractivity 51.3113 cm3
Polarizability 20.784561 Å3 Polar Surface Area 25.78 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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