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75806-85-8 molecular structure
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2,3,5-tribromopyridine

ChemBase ID: 19169
Molecular Formular: C5H2Br3N
Molecular Mass: 315.78808
Monoisotopic Mass: 312.77373507
SMILES and InChIs

SMILES:
c1(cnc(c(c1)Br)Br)Br
Canonical SMILES:
Brc1cnc(c(c1)Br)Br
InChI:
InChI=1S/C5H2Br3N/c6-3-1-4(7)5(8)9-2-3/h1-2H
InChIKey:
BBHYMJRPJFVNPI-UHFFFAOYSA-N

Cite this record

CBID:19169 http://www.chembase.cn/molecule-19169.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,3,5-tribromopyridine
IUPAC Traditional name
2,3,5-tribromopyridine
Synonyms
2,3,5-Tribromopyridine
2,3,5-Tribromopyridine
CAS Number
75806-85-8
MDL Number
MFCD00233999
PubChem SID
160982476
PubChem CID
628798

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.2673533  LogD (pH = 7.4) 3.2673533 
Log P 3.2673533  Molar Refractivity 47.6117 cm3
Polarizability 18.713316 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
41-44°C expand Show data source
Storage Warning
IRRITANT, MOISTURE SENSITIVE expand Show data source
Toxic/Corrosive/Light Sensitive/Moisture Sensitive expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
97% 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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