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926294-07-7 molecular structure
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6-bromo-4-methylpyridine-3-carbaldehyde

ChemBase ID: 815061
Molecular Formular: C7H6BrNO
Molecular Mass: 200.03264
Monoisotopic Mass: 198.96327582
SMILES and InChIs

SMILES:
c1(c(cnc(c1)Br)C=O)C
Canonical SMILES:
Cc1cc(Br)ncc1C=O
InChI:
InChI=1S/C7H6BrNO/c1-5-2-7(8)9-3-6(5)4-10/h2-4H,1H3
InChIKey:
VIURTWJYOMPUAX-UHFFFAOYSA-N

Cite this record

CBID:815061 http://www.chembase.cn/molecule-815061.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-bromo-4-methylpyridine-3-carbaldehyde
IUPAC Traditional name
6-bromo-4-methylpyridine-3-carbaldehyde
Synonyms
6-bromo-4-methylnicotinaldehyde
CAS Number
926294-07-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O37313 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O37313 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) 1.9557505  LogD (pH = 7.4) 1.9557714 
Log P 1.9557718  Molar Refractivity 43.9913 cm3
Polarizability 16.036276 Å3 Polar Surface Area 29.96 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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