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335033-38-0 molecular structure
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5-bromo-3-(bromomethyl)pyridin-2-amine hydrobromide

ChemBase ID: 806510
Molecular Formular: C6H7Br3N2
Molecular Mass: 346.84518
Monoisotopic Mass: 343.81593423
SMILES and InChIs

SMILES:
Br.n1c(c(cc(c1)Br)CBr)N
Canonical SMILES:
BrCc1cc(Br)cnc1N.Br
InChI:
InChI=1S/C6H6Br2N2.BrH/c7-2-4-1-5(8)3-10-6(4)9;/h1,3H,2H2,(H2,9,10);1H
InChIKey:
HWARTXMPXSZHGE-UHFFFAOYSA-N

Cite this record

CBID:806510 http://www.chembase.cn/molecule-806510.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-bromo-3-(bromomethyl)pyridin-2-amine hydrobromide
IUPAC Traditional name
5-bromo-3-(bromomethyl)pyridin-2-amine hydrobromide
Synonyms
5-BROMO-3-(BROMOMETHYL)PYRIDIN-2-AMINE HYDROBROMIDE
CAS Number
335033-38-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O24197 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O24197 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.9865166  LogD (pH = 7.4) 2.0615427 
Log P 2.062595  Molar Refractivity 49.3882 cm3
Polarizability 18.286844 Å3 Polar Surface Area 38.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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