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82090-52-6 molecular structure
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imidazo[1,2-a]pyridin-2-ylmethanol

ChemBase ID: 65081
Molecular Formular: C8H8N2O
Molecular Mass: 148.16192
Monoisotopic Mass: 148.06366289
SMILES and InChIs

SMILES:
c1ccn2c(c1)nc(c2)CO
Canonical SMILES:
OCc1nc2n(c1)cccc2
InChI:
InChI=1S/C8H8N2O/c11-6-7-5-10-4-2-1-3-8(10)9-7/h1-5,11H,6H2
InChIKey:
ROPHYEIJSUUKEO-UHFFFAOYSA-N

Cite this record

CBID:65081 http://www.chembase.cn/molecule-65081.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
imidazo[1,2-a]pyridin-2-ylmethanol
IUPAC Traditional name
imidazo[1,2-a]pyridin-2-ylmethanol
Synonyms
Imidazo[1,2-a]pyridin-2-ylmethanol
2-(Hydroxymethyl)imidazo[1,2-a]pyridine 90%
Imidazo[1,2-a]pyridine-2-methanol
CAS Number
82090-52-6
MDL Number
MFCD06797471
PubChem SID
162030820
PubChem CID
2795540

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.277672  H Acceptors
H Donor LogD (pH = 5.5) -0.31524655 
LogD (pH = 7.4) 0.06547776  Log P 0.07367155 
Molar Refractivity 42.2301 cm3 Polarizability 15.741283 Å3
Polar Surface Area 37.53 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
101.5-103.5°C expand Show data source
126 - 128°C expand Show data source
Hydrophobicity(logP)
0.127 expand Show data source
Storage Warning
IRRITANT expand Show data source
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
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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