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1039416-36-8 molecular structure
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{6-chloroimidazo[1,2-a]pyridin-2-yl}methanol

ChemBase ID: 42930
Molecular Formular: C8H7ClN2O
Molecular Mass: 182.60698
Monoisotopic Mass: 182.02469053
SMILES and InChIs

SMILES:
n12c(nc(c1)CO)ccc(c2)Cl
Canonical SMILES:
OCc1cn2c(n1)ccc(c2)Cl
InChI:
InChI=1S/C8H7ClN2O/c9-6-1-2-8-10-7(5-12)4-11(8)3-6/h1-4,12H,5H2
InChIKey:
NBOXKWPAFWOANI-UHFFFAOYSA-N

Cite this record

CBID:42930 http://www.chembase.cn/molecule-42930.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
{6-chloroimidazo[1,2-a]pyridin-2-yl}methanol
IUPAC Traditional name
{6-chloroimidazo[1,2-a]pyridin-2-yl}methanol
Synonyms
6-Chloroimidazolo[1,2-a]pyridin-2-yl-methanol
(6-Chloroimidazo[1,2-a]pyridin-2-yl)methanol
(6-Chloroimidazo[1,2-a]pyridin-2-yl)methanol
6-Chloro-2-(hydroxymethyl)imidazo[1,2-a]pyridine
CAS Number
1039416-36-8
MDL Number
MFCD11840955
PubChem SID
162047693
PubChem CID
19735707

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.27404  H Acceptors
H Donor LogD (pH = 5.5) 0.30513707 
LogD (pH = 7.4) 0.6700504  Log P 0.6777162 
Molar Refractivity 47.0349 cm3 Polarizability 17.653605 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
126 - 128 °C expand Show data source
126-128°C expand Show data source
Storage Warning
Harmful/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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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