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872363-02-5 molecular structure
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{5-methylimidazo[1,2-a]pyridin-2-yl}methanol

ChemBase ID: 143667
Molecular Formular: C9H10N2O
Molecular Mass: 162.1885
Monoisotopic Mass: 162.07931295
SMILES and InChIs

SMILES:
Cc1cccc2n1cc(n2)CO
Canonical SMILES:
OCc1cn2c(n1)cccc2C
InChI:
InChI=1S/C9H10N2O/c1-7-3-2-4-9-10-8(6-12)5-11(7)9/h2-5,12H,6H2,1H3
InChIKey:
BIUQSIPXUVGMHC-UHFFFAOYSA-N

Cite this record

CBID:143667 http://www.chembase.cn/molecule-143667.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
{5-methylimidazo[1,2-a]pyridin-2-yl}methanol
IUPAC Traditional name
{5-methylimidazo[1,2-a]pyridin-2-yl}methanol
Synonyms
(5-Methylimidazo[1,2-a]pyridin-2-yl)methanol
(5-methylimidazo[1,2-a]pyridin-2-yl)methanol
CAS Number
872363-02-5
MDL Number
MFCD05863392
PubChem SID
162237884
PubChem CID
821038

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 821038 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.280351  H Acceptors
H Donor LogD (pH = 5.5) -0.14272662 
LogD (pH = 7.4) 0.26411507  Log P 0.27323288 
Molar Refractivity 47.3798 cm3 Polarizability 17.504349 Å3
Polar Surface Area 37.53 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Empirical Formula (Hill Notation)
C9H10N2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - CBR00356 external link
Other Notes
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Legal Information
Product of ChemBridge Corp.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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