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343781-53-3 molecular structure
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3,6-dichloropyridine-2-carbaldehyde

ChemBase ID: 51714
Molecular Formular: C6H3Cl2NO
Molecular Mass: 176.00012
Monoisotopic Mass: 174.95916908
SMILES and InChIs

SMILES:
c1(ccc(c(n1)C=O)Cl)Cl
Canonical SMILES:
O=Cc1nc(Cl)ccc1Cl
InChI:
InChI=1S/C6H3Cl2NO/c7-4-1-2-6(8)9-5(4)3-10/h1-3H
InChIKey:
AXJGZYKXECWPOM-UHFFFAOYSA-N

Cite this record

CBID:51714 http://www.chembase.cn/molecule-51714.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,6-dichloropyridine-2-carbaldehyde
IUPAC Traditional name
3,6-dichloropyridine-2-carbaldehyde
Synonyms
3,6-Dichloropicolinaldehyde
2,5-Dichloropyridine-6-carboxaldehyde
3,6-Dichloro-2-formylpyridine
3,6-Dichloropicolinaldehyde
3,6-Dichloropyridine-2-carboxaldehyde
CAS Number
343781-53-3
MDL Number
MFCD12963768
PubChem SID
162056477
PubChem CID
10821148

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.5708854  LogD (pH = 7.4) 2.5708854 
Log P 2.5708854  Molar Refractivity 40.7708 cm3
Polarizability 15.27433 Å3 Polar Surface Area 29.96 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
234°C expand Show data source
Density
1.489 expand Show data source
Refractive Index
1.608 expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant/Store under Argon expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
97% expand Show data source
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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