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65719-03-1 molecular structure
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3-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylpyridine

ChemBase ID: 174008
Molecular Formular: C10H12N2
Molecular Mass: 160.21568
Monoisotopic Mass: 160.10004839
SMILES and InChIs

SMILES:
c1cnc(c(c1)C1=NCCC1)C
Canonical SMILES:
Cc1ncccc1C1=NCCC1
InChI:
InChI=1S/C10H12N2/c1-8-9(4-2-6-11-8)10-5-3-7-12-10/h2,4,6H,3,5,7H2,1H3
InChIKey:
MURICPYROPBZGE-UHFFFAOYSA-N

Cite this record

CBID:174008 http://www.chembase.cn/molecule-174008.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylpyridine
IUPAC Traditional name
3-(4,5-dihydro-3H-pyrrol-2-yl)-2-methylpyridine
Synonyms
3-(3,4-Dihydro-2H-pyrrol-5-yl)-2-methyl-pyridine
2-Methyl Myosmine
CAS Number
65719-03-1
PubChem SID
164229918
PubChem CID
29984007

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC M323090 external link Add to cart
PubChem 29984007 external link
Data Source Data ID Price
TRC
M323090 external link Add to cart Please log in.
Data Source Data ID
PubChem 29984007 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.08307172  LogD (pH = 7.4) 0.87732726 
Log P 0.9079316  Molar Refractivity 48.7445 cm3
Polarizability 18.555079 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 to Light Brown Oil expand Show data source
Storage Condition
Refrigerator 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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PATENTS

PATENTS

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