Home > Compound List > Compound details
1007089-84-0 molecular structure
click picture or here to close

3-(chloromethyl)-5-methylpyridine

ChemBase ID: 76860
Molecular Formular: C7H8ClN
Molecular Mass: 141.59812
Monoisotopic Mass: 141.03452694
SMILES and InChIs

SMILES:
n1cc(cc(c1)C)CCl
Canonical SMILES:
Cc1cc(CCl)cnc1
InChI:
InChI=1S/C7H8ClN/c1-6-2-7(3-8)5-9-4-6/h2,4-5H,3H2,1H3
InChIKey:
DZZYVVUYEDSKBU-UHFFFAOYSA-N

Cite this record

CBID:76860 http://www.chembase.cn/molecule-76860.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(chloromethyl)-5-methylpyridine
IUPAC Traditional name
3-(chloromethyl)-5-methylpyridine
Synonyms
3-(Chloromethyl)-5-methylpyridine
CAS Number
1007089-84-0
MDL Number
MFCD09998368
PubChem SID
162041762
PubChem CID
11962782

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 11962782 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.6626623  LogD (pH = 7.4) 1.8529687 
Log P 1.8562368  Molar Refractivity 38.8092 cm3
Polarizability 14.848128 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source
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