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51532-07-1 molecular structure
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2-bromo-1,5-naphthyridine

ChemBase ID: 294210
Molecular Formular: C8H5BrN2
Molecular Mass: 209.0427
Monoisotopic Mass: 207.96361017
SMILES and InChIs

SMILES:
Brc1nc2cccnc2cc1
Canonical SMILES:
Brc1ccc2c(n1)cccn2
InChI:
InChI=1S/C8H5BrN2/c9-8-4-3-6-7(11-8)2-1-5-10-6/h1-5H
InChIKey:
BKYZLQUIVDRXKW-UHFFFAOYSA-N

Cite this record

CBID:294210 http://www.chembase.cn/molecule-294210.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromo-1,5-naphthyridine
IUPAC Traditional name
2-bromo-1,5-naphthyridine
Synonyms
2-Bromo[1,5]naphthyridine
2-BROMO-1,5-NAPHTHYRIDINE
CAS Number
51532-07-1
PubChem SID
180679741
PubChem CID
817263

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 817263 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.2731802  LogD (pH = 7.4) 2.273351 
Log P 2.273353  Molar Refractivity 45.9154 cm3
Polarizability 18.811852 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
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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