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63604-59-1 molecular structure
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2-methyl-1H-imidazo[4,5-c]pyridine

ChemBase ID: 302562
Molecular Formular: C7H7N3
Molecular Mass: 133.15058
Monoisotopic Mass: 133.06399724
SMILES and InChIs

SMILES:
Cc1[nH]c2ccncc2n1
Canonical SMILES:
Cc1nc2c([nH]1)ccnc2
InChI:
InChI=1S/C7H7N3/c1-5-9-6-2-3-8-4-7(6)10-5/h2-4H,1H3,(H,9,10)
InChIKey:
JWQVOMJORQXNME-UHFFFAOYSA-N

Cite this record

CBID:302562 http://www.chembase.cn/molecule-302562.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methyl-1H-imidazo[4,5-c]pyridine
IUPAC Traditional name
2-methyl-1H-imidazo[4,5-c]pyridine
Synonyms
2-Methylimidazo[4,5-c]pyridine
2-甲基咪唑[4,5-c]吡啶
CAS Number
63604-59-1
EC Number
000-000-0
MDL Number
MFCD03426025
Beilstein Number
3234

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.495681  H Acceptors
H Donor LogD (pH = 5.5) 0.1559678 
LogD (pH = 7.4) 0.1647521  Log P 0.16489631 
Molar Refractivity 37.2523 cm3 Polarizability 15.536109 Å3
Polar Surface Area 41.57 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
176-178°C expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
99% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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