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1159829-75-0 molecular structure
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5-bromopyrido[3,4-b]pyrazine

ChemBase ID: 89129
Molecular Formular: C7H4BrN3
Molecular Mass: 210.03076
Monoisotopic Mass: 208.95885914
SMILES and InChIs

SMILES:
n1c2c(ncc1)c(ncc2)Br
Canonical SMILES:
Brc1nccc2c1nccn2
InChI:
InChI=1S/C7H4BrN3/c8-7-6-5(1-2-11-7)9-3-4-10-6/h1-4H
InChIKey:
DTMRVXGSWHHFQM-UHFFFAOYSA-N

Cite this record

CBID:89129 http://www.chembase.cn/molecule-89129.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-bromopyrido[3,4-b]pyrazine
IUPAC Traditional name
5-bromopyrido[3,4-b]pyrazine
Synonyms
5-Bromo-1,4,6-triazanaphthalene
5-Bromopyrido[3,4-b]pyrazine
CAS Number
1159829-75-0
PubChem SID
162076013
PubChem CID
71299541

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR46117 external link Add to cart Please log in.
Data Source Data ID
PubChem 71299541 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.0554585  LogD (pH = 7.4) 1.0556778 
Log P 1.0556806  Molar Refractivity 43.7585 cm3
Polarizability 17.991365 Å3 Polar Surface Area 38.67 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Harmful/Irritant/Light Sensitive expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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