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5307-19-7 molecular structure
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1-(pyridin-2-yl)propan-2-ol

ChemBase ID: 58749
Molecular Formular: C8H11NO
Molecular Mass: 137.17904
Monoisotopic Mass: 137.08406398
SMILES and InChIs

SMILES:
c1cnc(cc1)CC(O)C
Canonical SMILES:
CC(Cc1ccccn1)O
InChI:
InChI=1S/C8H11NO/c1-7(10)6-8-4-2-3-5-9-8/h2-5,7,10H,6H2,1H3
InChIKey:
GAMOMPUVNAWKHH-UHFFFAOYSA-N

Cite this record

CBID:58749 http://www.chembase.cn/molecule-58749.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(pyridin-2-yl)propan-2-ol
IUPAC Traditional name
1-(pyridin-2-yl)propan-2-ol
Synonyms
1-Pyridin-2-ylpropan-2-ol
1-(2-pyridinyl)-2-propanol
CAS Number
5307-19-7
MDL Number
MFCD01691728
PubChem SID
162063512
PubChem CID
578865

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 578865 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.391616  H Acceptors
H Donor LogD (pH = 5.5) 0.5444049 
LogD (pH = 7.4) 0.72045356  Log P 0.7232833 
Molar Refractivity 39.313 cm3 Polarizability 15.493101 Å3
Polar Surface Area 33.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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