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1260666-72-5 molecular structure
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2-bromo-8-chloro-1,7-naphthyridine

ChemBase ID: 800456
Molecular Formular: C8H4BrClN2
Molecular Mass: 243.48776
Monoisotopic Mass: 241.92463782
SMILES and InChIs

SMILES:
c1c(nc2c(nccc2c1)Cl)Br
Canonical SMILES:
Brc1ccc2c(n1)c(Cl)ncc2
InChI:
InChI=1S/C8H4BrClN2/c9-6-2-1-5-3-4-11-8(10)7(5)12-6/h1-4H
InChIKey:
XODXALUINALFPF-UHFFFAOYSA-N

Cite this record

CBID:800456 http://www.chembase.cn/molecule-800456.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromo-8-chloro-1,7-naphthyridine
IUPAC Traditional name
2-bromo-8-chloro-1,7-naphthyridine
Synonyms
2-BROMO-8-CHLORO-1,7-NAPHTHYRIDINE
CAS Number
1260666-72-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O16463 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O16463 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.7117243  LogD (pH = 7.4) 2.7117245 
Log P 2.7117245  Molar Refractivity 52.1535 cm3
Polarizability 20.840338 Å3 Polar Surface Area 25.78 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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