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1227514-45-5 molecular structure
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2-amino-5-bromopyridine-4-carbaldehyde

ChemBase ID: 801125
Molecular Formular: C6H5BrN2O
Molecular Mass: 201.0207
Monoisotopic Mass: 199.95852479
SMILES and InChIs

SMILES:
c1(cc(ncc1Br)N)C=O
Canonical SMILES:
O=Cc1cc(N)ncc1Br
InChI:
InChI=1S/C6H5BrN2O/c7-5-2-9-6(8)1-4(5)3-10/h1-3H,(H2,8,9)
InChIKey:
ROXOZQZSLLXFQY-UHFFFAOYSA-N

Cite this record

CBID:801125 http://www.chembase.cn/molecule-801125.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-5-bromopyridine-4-carbaldehyde
IUPAC Traditional name
2-amino-5-bromopyridine-4-carbaldehyde
Synonyms
2-AMINO-5-BROMOISONICOTINALDEHYDE
CAS Number
1227514-45-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O17437 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O17437 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) 0.9999519  LogD (pH = 7.4) 1.0023296 
Log P 1.00236  Molar Refractivity 43.1218 cm3
Polarizability 15.44196 Å3 Polar Surface Area 55.98 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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