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1159816-09-7 molecular structure
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2-bromo-5-(1H-pyrazol-1-yl)pyrazine

ChemBase ID: 804090
Molecular Formular: C7H5BrN4
Molecular Mass: 225.0454
Monoisotopic Mass: 223.96975818
SMILES and InChIs

SMILES:
c1c(ncc(n1)n1nccc1)Br
Canonical SMILES:
Brc1cnc(cn1)n1cccn1
InChI:
InChI=1S/C7H5BrN4/c8-6-4-10-7(5-9-6)12-3-1-2-11-12/h1-5H
InChIKey:
LPBOMEVIVDARLJ-UHFFFAOYSA-N

Cite this record

CBID:804090 http://www.chembase.cn/molecule-804090.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromo-5-(1H-pyrazol-1-yl)pyrazine
IUPAC Traditional name
2-bromo-5-(pyrazol-1-yl)pyrazine
Synonyms
2-BROMO-5-(1H-PYRAZOL-1-YL)PYRAZINE
CAS Number
1159816-09-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O20945 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O20945 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) 1.1924157  LogD (pH = 7.4) 1.1924512 
Log P 1.1924516  Molar Refractivity 48.8844 cm3
Polarizability 17.940264 Å3 Polar Surface Area 43.6 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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