Home > Compound List > Compound details
139183-98-5 molecular structure
click picture or here to close

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

ChemBase ID: 180446
Molecular Formular: C8H10N2O2
Molecular Mass: 166.1772
Monoisotopic Mass: 166.07422757
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

Cite this record

CBID:180446 http://www.chembase.cn/molecule-180446.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5H,6H,7H,8H-imidazo[1,2-a]pyridine-6-carboxylic acid
IUPAC Traditional name
5H,6H,7H,8H-imidazo[1,2-a]pyridine-6-carboxylic acid
Synonyms
5H,6H,7H,8H-imidazo[1,2-a]pyridine-6-carboxylic acid
5,6,7,8-Tetrahydro-imidazo[1,2-a]pyridine-6-carboxylic acid
CAS Number
139183-98-5
MDL Number
MFCD14705658
PubChem SID
164236356
PubChem CID
10820947

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 10820947 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.0208225  H Acceptors
H Donor LogD (pH = 5.5) -1.0602002 
LogD (pH = 7.4) -2.047587  Log P -1.0098548 
Molar Refractivity 41.9324 cm3 Polarizability 16.185165 Å3
Polar Surface Area 55.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
-0.19 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle