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874-39-5 molecular structure
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7-methylimidazo[1,2-a]pyridine

ChemBase ID: 75790
Molecular Formular: C8H8N2
Molecular Mass: 132.16252
Monoisotopic Mass: 132.06874827
SMILES and InChIs

SMILES:
n12c(ncc1)cc(cc2)C
Canonical SMILES:
Cc1ccn2c(c1)ncc2
InChI:
InChI=1S/C8H8N2/c1-7-2-4-10-5-3-9-8(10)6-7/h2-6H,1H3
InChIKey:
IQDUNRGHZFBKLT-UHFFFAOYSA-N

Cite this record

CBID:75790 http://www.chembase.cn/molecule-75790.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-methylimidazo[1,2-a]pyridine
IUPAC Traditional name
7-methylimidazo[1,2-a]pyridine
Synonyms
7-Methylimidazo[1,2-a]pyridine
CAS Number
874-39-5
MDL Number
MFCD06761695
PubChem SID
162040708
PubChem CID
136681

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 136681 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.4426655  LogD (pH = 7.4) 1.2113214 
Log P 1.2729708  Molar Refractivity 40.9776 cm3
Polarizability 15.052674 Å3 Polar Surface Area 17.3 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
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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