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80353-94-2 molecular structure
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7-methylimidazo[1,2-a]pyridine-2-carboxylic acid

ChemBase ID: 18307
Molecular Formular: C9H8N2O2
Molecular Mass: 176.17202
Monoisotopic Mass: 176.05857751
SMILES and InChIs

SMILES:
c1(nc2n(c1)ccc(c2)C)C(=O)O
Canonical SMILES:
Cc1ccn2c(c1)nc(c2)C(=O)O
InChI:
InChI=1S/C9H8N2O2/c1-6-2-3-11-5-7(9(12)13)10-8(11)4-6/h2-5H,1H3,(H,12,13)
InChIKey:
GWOWWQVYWZHBRI-UHFFFAOYSA-N

Cite this record

CBID:18307 http://www.chembase.cn/molecule-18307.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-methylimidazo[1,2-a]pyridine-2-carboxylic acid
IUPAC Traditional name
7-methylimidazo[1,2-a]pyridine-2-carboxylic acid
Synonyms
7-Methylimidazo[1,2-a]pyridine-2-carboxylic acid
CAS Number
80353-94-2
MDL Number
MFCD03425067
PubChem SID
160981614
PubChem CID
1072555

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.0122817  H Acceptors
H Donor LogD (pH = 5.5) -0.7296408 
LogD (pH = 7.4) -2.0227747  Log P -0.28436604 
Molar Refractivity 47.8618 cm3 Polarizability 17.418037 Å3
Polar Surface Area 54.6 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
226 - 228°C expand Show data source
243 (dec) °C expand Show data source
Hydrophobicity(logP)
2.232 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
>95% expand Show data source
95% expand Show data source
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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