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1033203-41-6 molecular structure
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6-bromopyridine-3,4-diamine

ChemBase ID: 802719
Molecular Formular: C5H6BrN3
Molecular Mass: 188.02524
Monoisotopic Mass: 186.97450921
SMILES and InChIs

SMILES:
n1cc(c(cc1Br)N)N
Canonical SMILES:
Brc1ncc(c(c1)N)N
InChI:
InChI=1S/C5H6BrN3/c6-5-1-3(7)4(8)2-9-5/h1-2H,8H2,(H2,7,9)
InChIKey:
XCVAQMLOGLDTNX-UHFFFAOYSA-N

Cite this record

CBID:802719 http://www.chembase.cn/molecule-802719.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-bromopyridine-3,4-diamine
IUPAC Traditional name
6-bromopyridine-3,4-diamine
Synonyms
6-BROMOPYRIDINE-3,4-DIAMINE
CAS Number
1033203-41-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O19235 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O19235 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) -0.3731315  LogD (pH = 7.4) 0.06173637 
Log P 0.07199612  Molar Refractivity 41.7669 cm3
Polarizability 14.687331 Å3 Polar Surface Area 64.93 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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