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774178-09-5 molecular structure
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2-methyl-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine

ChemBase ID: 287610
Molecular Formular: C7H11N3
Molecular Mass: 137.18234
Monoisotopic Mass: 137.09529737
SMILES and InChIs

SMILES:
Cc1nc2c(CNCC2)[nH]1
Canonical SMILES:
Cc1nc2c([nH]1)CNCC2
InChI:
InChI=1S/C7H11N3/c1-5-9-6-2-3-8-4-7(6)10-5/h8H,2-4H2,1H3,(H,9,10)
InChIKey:
CVDDYBUFDUAOJL-UHFFFAOYSA-N

Cite this record

CBID:287610 http://www.chembase.cn/molecule-287610.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methyl-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine
IUPAC Traditional name
2-methyl-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine
Synonyms
2-Methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
CAS Number
774178-09-5
PubChem SID
180673141
PubChem CID
12037655

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD158602 Please log in.
Data Source Data ID
PubChem 12037655 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.273276  H Acceptors
H Donor LogD (pH = 5.5) -3.6066911 
LogD (pH = 7.4) -1.5100014  Log P -0.4740976 
Molar Refractivity 39.3108 cm3 Polarizability 15.1462965 Å3
Polar Surface Area 40.71 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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