Home > Compound List > Compound details
54087-03-5 molecular structure
click picture or here to close

6-chloropyridine-2-carbaldehyde

ChemBase ID: 43749
Molecular Formular: C6H4ClNO
Molecular Mass: 141.55506
Monoisotopic Mass: 140.99814143
SMILES and InChIs

SMILES:
n1c(Cl)cccc1C=O
Canonical SMILES:
O=Cc1cccc(n1)Cl
InChI:
InChI=1S/C6H4ClNO/c7-6-3-1-2-5(4-9)8-6/h1-4H
InChIKey:
XTRLIKXVRGWTKW-UHFFFAOYSA-N

Cite this record

CBID:43749 http://www.chembase.cn/molecule-43749.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-chloropyridine-2-carbaldehyde
IUPAC Traditional name
6-chloropyridine-2-carbaldehyde
Synonyms
6-Chloropyridine-2-carbaldehyde
6-Chloro-2-pyridinecarbaldehyde
2-Chloro-6-formylpyridine
6-Chloropicolinaldehyde
6-Chloropyridine-2-carboxaldehyde
CAS Number
54087-03-5
MDL Number
MFCD09832941
PubChem SID
162048512
PubChem CID
10796848

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.9668401  LogD (pH = 7.4) 1.9668407 
Log P 1.9668407  Molar Refractivity 35.966 cm3
Polarizability 13.300328 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)
Melting Point
68 - 69 °C expand Show data source
68-69°C expand Show data source
Storage Warning
Harmful/Irritant/Store under Argon expand Show data source
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
>95% expand Show data source
95+% expand Show data source
97% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle