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1060815-64-6 molecular structure
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3-bromo-6-chloropyridine-2-carbaldehyde

ChemBase ID: 813712
Molecular Formular: C6H3BrClNO
Molecular Mass: 220.45112
Monoisotopic Mass: 218.9086534
SMILES and InChIs

SMILES:
c1cc(nc(c1Br)C=O)Cl
Canonical SMILES:
O=Cc1nc(Cl)ccc1Br
InChI:
InChI=1S/C6H3BrClNO/c7-4-1-2-6(8)9-5(4)3-10/h1-3H
InChIKey:
QJDOKQZCTKPLOY-UHFFFAOYSA-N

Cite this record

CBID:813712 http://www.chembase.cn/molecule-813712.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-bromo-6-chloropyridine-2-carbaldehyde
IUPAC Traditional name
3-bromo-6-chloropyridine-2-carbaldehyde
Synonyms
3-bromo-6-chloropicolinaldehyde
CAS Number
1060815-64-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O35791 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O35791 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) 2.7355933  LogD (pH = 7.4) 2.7355933 
Log P 2.7355933  Molar Refractivity 43.5888 cm3
Polarizability 16.320148 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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