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86278-61-7 molecular structure
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1-bromo-2,7-naphthyridine

ChemBase ID: 292276
Molecular Formular: C8H5BrN2
Molecular Mass: 209.0427
Monoisotopic Mass: 207.96361017
SMILES and InChIs

SMILES:
Brc1c2cnccc2ccn1
Canonical SMILES:
Brc1nccc2c1cncc2
InChI:
InChI=1S/C8H5BrN2/c9-8-7-5-10-3-1-6(7)2-4-11-8/h1-5H
InChIKey:
XBFXXISYRBBBJF-UHFFFAOYSA-N

Cite this record

CBID:292276 http://www.chembase.cn/molecule-292276.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-bromo-2,7-naphthyridine
IUPAC Traditional name
1-bromo-2,7-naphthyridine
Synonyms
1-Bromo-2,7-naphthyridine
CAS Number
86278-61-7
PubChem SID
180677807
PubChem CID
13082168

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD241060 Please log in.
Data Source Data ID
PubChem 13082168 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.5012162  LogD (pH = 7.4) 1.5016469 
Log P 1.5016524  Molar Refractivity 46.6594 cm3
Polarizability 18.811537 Å3 Polar Surface Area 25.78 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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