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1054484-40-0 molecular structure
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3,5-dibromo-2-chloropyridin-4-amine

ChemBase ID: 51506
Molecular Formular: C5H3Br2ClN2
Molecular Mass: 286.35172
Monoisotopic Mass: 283.83514979
SMILES and InChIs

SMILES:
c1(c(c(cnc1Cl)Br)N)Br
Canonical SMILES:
Brc1cnc(c(c1N)Br)Cl
InChI:
InChI=1S/C5H3Br2ClN2/c6-2-1-10-5(8)3(7)4(2)9/h1H,(H2,9,10)
InChIKey:
JSWRREFUDHGVFW-UHFFFAOYSA-N

Cite this record

CBID:51506 http://www.chembase.cn/molecule-51506.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,5-dibromo-2-chloropyridin-4-amine
IUPAC Traditional name
3,5-dibromo-2-chloropyridin-4-amine
Synonyms
3,5-Dibromo-2-chloro-4-pyridinamine
CAS Number
1054484-40-0
MDL Number
MFCD11110699
PubChem SID
162056269
PubChem CID
44754892

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 44754892 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.2882543  LogD (pH = 7.4) 2.288373 
Log P 2.2883744  Molar Refractivity 49.7132 cm3
Polarizability 18.700129 Å3 Polar Surface Area 38.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
156 - 157 °C expand Show data source
156-157°C expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
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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