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5H,6H,7H,8H-imidazo[1,2-a]pyridine-6-carboxylic acid
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ChemBase ID:
180446
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Molecular Formular:
C8H10N2O2
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Molecular Mass:
166.1772
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Monoisotopic Mass:
166.07422757
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SMILES and InChIs
SMILES:
c12CCC(Cn1ccn2)C(=O)O
Canonical SMILES:
OC(=O)C1CCc2n(C1)ccn2
InChI:
InChI=1S/C8H10N2O2/c11-8(12)6-1-2-7-9-3-4-10(7)5-6/h3-4,6H,1-2,5H2,(H,11,12)
InChIKey:
IZKSCLJWFFCROV-UHFFFAOYSA-N
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Cite this record
CBID:180446 http://www.chembase.cn/molecule-180446.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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5H,6H,7H,8H-imidazo[1,2-a]pyridine-6-carboxylic acid
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IUPAC Traditional name
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5H,6H,7H,8H-imidazo[1,2-a]pyridine-6-carboxylic acid
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Synonyms
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5H,6H,7H,8H-imidazo[1,2-a]pyridine-6-carboxylic acid
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5,6,7,8-Tetrahydro-imidazo[1,2-a]pyridine-6-carboxylic acid
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CAS Number
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MDL Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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4.0208225
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H Acceptors
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3
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H Donor
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1
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LogD (pH = 5.5)
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-1.0602002
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LogD (pH = 7.4)
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-2.047587
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Log P
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-1.0098548
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Molar Refractivity
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41.9324 cm3
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Polarizability
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16.185165 Å3
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Polar Surface Area
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55.12 Å2
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Rotatable Bonds
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1
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Lipinski's Rule of Five
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true
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PROPERTIES
PROPERTIES
Physical Property
Product Information
Bioassay(PubChem)
Hydrophobicity(logP)
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-0.19
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Show
data source
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Purity
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95%
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Show
data source
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PATENTS
PATENTS
PubChem Patent
Google Patent