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77629-49-3 molecular structure
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5-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylpyridine

ChemBase ID: 174010
Molecular Formular: C10H12N2
Molecular Mass: 160.21568
Monoisotopic Mass: 160.10004839
SMILES and InChIs

SMILES:
c1cc(ncc1C1=NCCC1)C
Canonical SMILES:
Cc1ccc(cn1)C1=NCCC1
InChI:
InChI=1S/C10H12N2/c1-8-4-5-9(7-12-8)10-3-2-6-11-10/h4-5,7H,2-3,6H2,1H3
InChIKey:
XCUULVSJRRKMJR-UHFFFAOYSA-N

Cite this record

CBID:174010 http://www.chembase.cn/molecule-174010.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylpyridine
IUPAC Traditional name
5-(4,5-dihydro-3H-pyrrol-2-yl)-2-methylpyridine
Synonyms
5-(3,4-Dihydro-2H-pyrrol-5-yl)-2-methyl-pyridine
6-Methyl Myosmine
CAS Number
77629-49-3
PubChem SID
164229920
PubChem CID
12749677

DATA SOURCES

DATA SOURCES

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Data Source Data ID
TRC M323105 external link Add to cart
PubChem 12749677 external link
Data Source Data ID Price
TRC
M323105 external link Add to cart Please log in.
Data Source Data ID
PubChem 12749677 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.060502157  LogD (pH = 7.4) 0.8756266 
Log P 0.9079316  Molar Refractivity 48.7445 cm3
Polarizability 18.554531 Å3 Polar Surface Area 25.25 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Acetone expand Show data source
Chloroform expand Show data source
Dichloromethane expand Show data source
Ethyl Acetate expand Show data source
Apperance
Yellow Solid expand Show data source
Melting Point
72-75°C expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

TRC TRC

REFERENCES

REFERENCES

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  • • Yamamoto, I., et al.: Agr. Biol. Chem., 27, 446 (1963)
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PATENTS

PATENTS

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INTERNET

INTERNET

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