Home > Compound List > Compound details
1196154-24-1 molecular structure
click picture or here to close

6-(chloromethyl)pyridine-3-carbaldehyde

ChemBase ID: 814218
Molecular Formular: C7H6ClNO
Molecular Mass: 155.58164
Monoisotopic Mass: 155.0137915
SMILES and InChIs

SMILES:
c1c(cnc(c1)CCl)C=O
Canonical SMILES:
O=Cc1ccc(nc1)CCl
InChI:
InChI=1S/C7H6ClNO/c8-3-7-2-1-6(5-10)4-9-7/h1-2,4-5H,3H2
InChIKey:
RYZYYXWRHOBSIF-UHFFFAOYSA-N

Cite this record

CBID:814218 http://www.chembase.cn/molecule-814218.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-(chloromethyl)pyridine-3-carbaldehyde
IUPAC Traditional name
6-(chloromethyl)pyridine-3-carbaldehyde
Synonyms
6-(chloromethyl)nicotinaldehyde
CAS Number
1196154-24-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O36368 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O36368 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) 1.1357685  LogD (pH = 7.4) 1.1367768 
Log P 1.1367897  Molar Refractivity 39.8298 cm3
Polarizability 15.013664 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

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