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90902-83-3 molecular structure
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2-bromo-5-chloropyridin-3-amine

ChemBase ID: 63764
Molecular Formular: C5H4BrClN2
Molecular Mass: 207.45566
Monoisotopic Mass: 205.92463782
SMILES and InChIs

SMILES:
n1c(c(cc(c1)Cl)N)Br
Canonical SMILES:
Clc1cnc(c(c1)N)Br
InChI:
InChI=1S/C5H4BrClN2/c6-5-4(8)1-3(7)2-9-5/h1-2H,8H2
InChIKey:
AZOXQBMBDRLSCQ-UHFFFAOYSA-N

Cite this record

CBID:63764 http://www.chembase.cn/molecule-63764.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromo-5-chloropyridin-3-amine
IUPAC Traditional name
2-bromo-5-chloropyridin-3-amine
Synonyms
3-Amino-2-bromo-5-chloropyridine
CAS Number
90902-83-3
MDL Number
MFCD07368976
PubChem SID
162029503
PubChem CID
2769640

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.5049652  LogD (pH = 7.4) 1.5049667 
Log P 1.5049667  Molar Refractivity 41.8713 cm3
Polarizability 15.524819 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
Irritant expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
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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