Home > Compound List > Compound details
26163-03-1 molecular structure
click picture or here to close

3-bromo-5-chloropyridin-2-amine

ChemBase ID: 41462
Molecular Formular: C5H4BrClN2
Molecular Mass: 207.45566
Monoisotopic Mass: 205.92463782
SMILES and InChIs

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

Cite this record

CBID:41462 http://www.chembase.cn/molecule-41462.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-bromo-5-chloropyridin-2-amine
IUPAC Traditional name
3-bromo-5-chloropyridin-2-amine
Synonyms
3-Bromo-5-chloro-2-pyridinamine
3-Bromo-5-chloropyridin-2-amine
2-Amino-3-bromo-5-chloropyridine
3-Bromo-5-chloro-2-pyridinamine
2-Amino-3-bromo-5-chloropyridine
2-Amino-3-bromo-5-chloropyridine 98%
2-氨基-3-溴-5-氯吡啶
CAS Number
26163-03-1
MDL Number
MFCD00955627
PubChem SID
162046225
PubChem CID
2763971

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.8918278  LogD (pH = 7.4) 1.8938761 
Log P 1.8939023  Molar Refractivity 41.3426 cm3
Polarizability 15.4677305 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
82 - 83 °C expand Show data source
82-83°C expand Show data source
83-85°C expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
European Hazard Symbols
X expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
21/22-36/37/38 expand Show data source
Safety Statements
26-36/37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H302-H312-H315-H319-H335 expand Show data source
GHS Precautionary statements
P280H-P305+P351+P338 expand Show data source
Purity
>95% expand Show data source
95% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle