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MFCD00269534 molecular structure
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7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid

ChemBase ID: 92469
Molecular Formular: C15H12N2O2
Molecular Mass: 252.26798
Monoisotopic Mass: 252.08987763
SMILES and InChIs

SMILES:
n1c2n(ccc(c2)C)c(c1c1ccccc1)C(=O)O
Canonical SMILES:
Cc1ccn2c(c1)nc(c2C(=O)O)c1ccccc1
InChI:
InChI=1S/C15H12N2O2/c1-10-7-8-17-12(9-10)16-13(14(17)15(18)19)11-5-3-2-4-6-11/h2-9H,1H3,(H,18,19)
InChIKey:
CKYBTUNKLOELPQ-UHFFFAOYSA-N

Cite this record

CBID:92469 http://www.chembase.cn/molecule-92469.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid
IUPAC Traditional name
7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid
Synonyms
7-Methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid
MDL Number
MFCD00269534
PubChem SID
162079167
PubChem CID
2736929

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 2736929 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.6467705  H Acceptors
H Donor LogD (pH = 5.5) 0.9171181 
LogD (pH = 7.4) -0.47486576  Log P 1.8857149 
Molar Refractivity 72.8755 cm3 Polarizability 28.345686 Å3
Polar Surface Area 54.6 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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