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13535-01-8 molecular structure
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5-bromopyridin-3-amine

ChemBase ID: 18439
Molecular Formular: C5H5BrN2
Molecular Mass: 173.0106
Monoisotopic Mass: 171.96361017
SMILES and InChIs

SMILES:
c1(cncc(c1)Br)N
Canonical SMILES:
Nc1cncc(c1)Br
InChI:
InChI=1S/C5H5BrN2/c6-4-1-5(7)3-8-2-4/h1-3H,7H2
InChIKey:
MDQXGHBCDCOOSM-UHFFFAOYSA-N

Cite this record

CBID:18439 http://www.chembase.cn/molecule-18439.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-bromopyridin-3-amine
IUPAC Traditional name
5-bromopyridin-3-amine
Synonyms
3-Amino-5-bromopyridine
5-bromopyridin-3-amine
5-Bromopyridin-3-amine
3-Amino-5-bromopyridine
5-Bromo-pyridin-3-ylamine
3-氨基-5-溴吡啶
CAS Number
13535-01-8
MDL Number
MFCD01646060
PubChem SID
24884883
160981746
PubChem CID
817681

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.6835988  LogD (pH = 7.4) 0.695249 
Log P 0.69540006  Molar Refractivity 36.2243 cm3
Polarizability 13.464928 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
65 - 69°C expand Show data source
65-69 °C expand Show data source
65-69°C expand Show data source
Hydrophobicity(logP)
1.304 expand Show data source
Storage Warning
Harmful/Irritant/Light Sensitive/Store under Argon expand Show data source
IRRITANT expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22-36/37/38 expand Show data source
Safety Statements
26-36/37 expand Show data source
TSCA Listed
false expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves expand Show data source
Purity
95% expand Show data source
97% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C5H5BrN2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 667129 external link
Packaging
1, 10 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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