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1060805-93-7 molecular structure
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4-bromo-2-methylpyridine-3-carbaldehyde

ChemBase ID: 814687
Molecular Formular: C7H6BrNO
Molecular Mass: 200.03264
Monoisotopic Mass: 198.96327582
SMILES and InChIs

SMILES:
c1(c(c(ncc1)C)C=O)Br
Canonical SMILES:
O=Cc1c(Br)ccnc1C
InChI:
InChI=1S/C7H6BrNO/c1-5-6(4-10)7(8)2-3-9-5/h2-4H,1H3
InChIKey:
MMGCKBATBGIKRI-UHFFFAOYSA-N

Cite this record

CBID:814687 http://www.chembase.cn/molecule-814687.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-bromo-2-methylpyridine-3-carbaldehyde
IUPAC Traditional name
4-bromo-2-methylpyridine-3-carbaldehyde
Synonyms
4-bromo-2-methylnicotinaldehyde
CAS Number
1060805-93-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O36909 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O36909 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) 1.3609179  LogD (pH = 7.4) 1.368106 
Log P 1.3681985  Molar Refractivity 42.6994 cm3
Polarizability 15.988368 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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INTERNET

INTERNET

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