Home > Compound List > Compound details
81438-53-1 molecular structure
click picture or here to close

2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid

ChemBase ID: 88018
Molecular Formular: C10H10N2O2
Molecular Mass: 190.1986
Monoisotopic Mass: 190.07422757
SMILES and InChIs

SMILES:
n1c2cc(ccn2c(c1C)C(=O)O)C
Canonical SMILES:
Cc1ccn2c(c1)nc(c2C(=O)O)C
InChI:
InChI=1S/C10H10N2O2/c1-6-3-4-12-8(5-6)11-7(2)9(12)10(13)14/h3-5H,1-2H3,(H,13,14)
InChIKey:
BDKHWMQAUGGNAQ-UHFFFAOYSA-N

Cite this record

CBID:88018 http://www.chembase.cn/molecule-88018.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid
IUPAC Traditional name
2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid
Synonyms
2,7-Dimethylimidazo[1,2-a]pyridine-3-carboxylic acid
CAS Number
81438-53-1
MDL Number
MFCD00139513
PubChem SID
162075058
PubChem CID
2736254

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2736254 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.5568702  H Acceptors
H Donor LogD (pH = 5.5) -1.0000383 
LogD (pH = 7.4) -2.3400416  Log P -0.5176257 
Molar Refractivity 52.7028 cm3 Polarizability 19.176008 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

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