Home > Compound List > Compound details
155136-54-2 molecular structure
click picture or here to close

4-methylpyridine-3-carbonyl chloride

ChemBase ID: 88142
Molecular Formular: C7H6ClNO
Molecular Mass: 155.58164
Monoisotopic Mass: 155.0137915
SMILES and InChIs

SMILES:
n1cc(c(cc1)C)C(=O)Cl
Canonical SMILES:
ClC(=O)c1cnccc1C
InChI:
InChI=1S/C7H6ClNO/c1-5-2-3-9-4-6(5)7(8)10/h2-4H,1H3
InChIKey:
BLQJZTXYHZLWJC-UHFFFAOYSA-N

Cite this record

CBID:88142 http://www.chembase.cn/molecule-88142.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-methylpyridine-3-carbonyl chloride
IUPAC Traditional name
4-methylpyridine-3-carbonyl chloride
Synonyms
4-Methylpyridine-3-carbonyl chloride
4-Methylnicotinoyl chloride
CAS Number
155136-54-2
PubChem SID
162075174
PubChem CID
22386188

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR40060 external link Add to cart Please log in.
Data Source Data ID
PubChem 22386188 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.4258711  LogD (pH = 7.4) 1.4594576 
Log P 1.4599073  Molar Refractivity 40.057 cm3
Polarizability 14.973174 Å3 Polar Surface Area 29.96 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Corrosive/Moisture Sensitive/Store under Argon 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