Home > Compound List > Compound details
219911-35-0 molecular structure
click picture or here to close

2-methyl-6-(2-phenylethynyl)pyridine hydrochloride

ChemBase ID: 132927
Molecular Formular: C14H12ClN
Molecular Mass: 229.70478
Monoisotopic Mass: 229.06582707
SMILES and InChIs

SMILES:
Cc1cccc(n1)C#Cc1ccccc1.Cl
Canonical SMILES:
Cc1cccc(n1)C#Cc1ccccc1.Cl
InChI:
InChI=1S/C14H11N.ClH/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13;/h2-9H,1H3;1H
InChIKey:
PKDHDJBNEKXCBI-UHFFFAOYSA-N

Cite this record

CBID:132927 http://www.chembase.cn/molecule-132927.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methyl-6-(2-phenylethynyl)pyridine hydrochloride
IUPAC Traditional name
MPEP hydrochloride
Synonyms
MPEP hydrochloride
6-Methyl-2-(phenylethynyl)pyridine hydrochloride
CAS Number
219911-35-0
MDL Number
MFCD02262119
PubChem SID
162227204
24278557
PubChem CID
9794588

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
M5435 external link Add to cart Please log in.
Data Source Data ID
PubChem 9794588 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.3861864  LogD (pH = 7.4) 3.3937657 
Log P 3.3938632  Molar Refractivity 55.9572 cm3
Polarizability 23.417192 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Solubility
DMSO: ≥10 mg/mL expand Show data source
H2O: ≥10 mg/mL expand Show data source
Apperance
off-white to light tan solid expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
room temp expand Show data source
Gene Information
human ... GRIN2B(2904), GRM5(2915)rat ... Grm5(24418) expand Show data source
Purity
≥98% (HPLC) expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - M5435 external link
Biochem/physiol Actions
Highly selective, non-competitive mGluR5 metabotropic glutamate receptor antagonist.

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