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1214326-89-2 molecular structure
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3-bromo-5-fluoropyridin-4-amine

ChemBase ID: 68257
Molecular Formular: C5H4BrFN2
Molecular Mass: 191.0010632
Monoisotopic Mass: 189.95418836
SMILES and InChIs

SMILES:
c1c(c(c(cn1)F)N)Br
Canonical SMILES:
Nc1c(F)cncc1Br
InChI:
InChI=1S/C5H4BrFN2/c6-3-1-9-2-4(7)5(3)8/h1-2H,(H2,8,9)
InChIKey:
AANCKJPIOOGVPS-UHFFFAOYSA-N

Cite this record

CBID:68257 http://www.chembase.cn/molecule-68257.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-bromo-5-fluoropyridin-4-amine
IUPAC Traditional name
3-bromo-5-fluoropyridin-4-amine
Synonyms
3-Bromo-5-fluoropyridin-4-amine
CAS Number
1214326-89-2
MDL Number
MFCD13185327
PubChem SID
162033989
PubChem CID
53485488

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 53485488 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.7341133  LogD (pH = 7.4) 0.8365785 
Log P 0.838102  Molar Refractivity 36.4407 cm3
Polarizability 13.366172 Å3 Polar Surface Area 38.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
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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