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917364-11-5 molecular structure
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5H,6H,7H,8H-imidazo[1,2-a]pyridine-2-carboxylic acid

ChemBase ID: 287276
Molecular Formular: C8H10N2O2
Molecular Mass: 166.1772
Monoisotopic Mass: 166.07422757
SMILES and InChIs

SMILES:
O=C(c1cn2CCCCc2n1)O
Canonical SMILES:
OC(=O)c1nc2n(c1)CCCC2
InChI:
InChI=1S/C8H10N2O2/c11-8(12)6-5-10-4-2-1-3-7(10)9-6/h5H,1-4H2,(H,11,12)
InChIKey:
VSQKTNVCXGXCHB-UHFFFAOYSA-N

Cite this record

CBID:287276 http://www.chembase.cn/molecule-287276.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5H,6H,7H,8H-imidazo[1,2-a]pyridine-2-carboxylic acid
IUPAC Traditional name
5H,6H,7H,8H-imidazo[1,2-a]pyridine-2-carboxylic acid
Synonyms
5,6,7,8-Tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid
CAS Number
917364-11-5
MDL Number
MFCD10566765
PubChem SID
180672807
PubChem CID
44558560

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD134398 Please log in.
Data Source Data ID
PubChem 44558560 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.2644392  H Acceptors
H Donor LogD (pH = 5.5) -0.8909153 
LogD (pH = 7.4) -1.83794  Log P -0.83759785 
Molar Refractivity 42.7307 cm3 Polarizability 16.02239 Å3
Polar Surface Area 55.12 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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