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1060810-14-1 molecular structure
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3-bromo-6-methylpyridine-2-carbaldehyde

ChemBase ID: 813680
Molecular Formular: C7H6BrNO
Molecular Mass: 200.03264
Monoisotopic Mass: 198.96327582
SMILES and InChIs

SMILES:
c1cc(nc(c1Br)C=O)C
Canonical SMILES:
O=Cc1nc(C)ccc1Br
InChI:
InChI=1S/C7H6BrNO/c1-5-2-3-6(8)7(4-10)9-5/h2-4H,1H3
InChIKey:
WWZJZJNCDFQHHG-UHFFFAOYSA-N

Cite this record

CBID:813680 http://www.chembase.cn/molecule-813680.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-bromo-6-methylpyridine-2-carbaldehyde
IUPAC Traditional name
3-bromo-6-methylpyridine-2-carbaldehyde
Synonyms
3-bromo-6-methylpicolinaldehyde
CAS Number
1060810-14-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O35757 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O35757 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) 2.0419645  LogD (pH = 7.4) 2.0427318 
Log P 2.0427415  Molar Refractivity 42.3142 cm3
Polarizability 15.996178 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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