Home > Compound List > Compound details
1060810-01-6 molecular structure
click picture or here to close

3-chloro-6-methylpyridine-2-carbaldehyde

ChemBase ID: 813672
Molecular Formular: C7H6ClNO
Molecular Mass: 155.58164
Monoisotopic Mass: 155.0137915
SMILES and InChIs

SMILES:
c1cc(nc(c1Cl)C=O)C
Canonical SMILES:
O=Cc1nc(C)ccc1Cl
InChI:
InChI=1S/C7H6ClNO/c1-5-2-3-6(8)7(4-10)9-5/h2-4H,1H3
InChIKey:
WIIVFNPYTNAFBN-UHFFFAOYSA-N

Cite this record

CBID:813672 http://www.chembase.cn/molecule-813672.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-chloro-6-methylpyridine-2-carbaldehyde
IUPAC Traditional name
3-chloro-6-methylpyridine-2-carbaldehyde
Synonyms
3-chloro-6-methylpicolinaldehyde
CAS Number
1060810-01-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O35747 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O35747 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) 1.877396  LogD (pH = 7.4) 1.8780257 
Log P 1.8780336  Molar Refractivity 39.4962 cm3
Polarizability 15.017986 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