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53428-03-8 molecular structure
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5-ethylpyridin-2-ol

ChemBase ID: 293932
Molecular Formular: C7H9NO
Molecular Mass: 123.15246
Monoisotopic Mass: 123.06841391
SMILES and InChIs

SMILES:
CCc1cnc(O)cc1
Canonical SMILES:
CCc1ccc(nc1)O
InChI:
InChI=1S/C7H9NO/c1-2-6-3-4-7(9)8-5-6/h3-5H,2H2,1H3,(H,8,9)
InChIKey:
ORMQFHJGBAPKHK-UHFFFAOYSA-N

Cite this record

CBID:293932 http://www.chembase.cn/molecule-293932.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-ethylpyridin-2-ol
IUPAC Traditional name
5-ethylpyridin-2-ol
Synonyms
5-Ethylpyridin-2-ol
5-Ethyl-pyridin-2-ol
CAS Number
53428-03-8
MDL Number
MFCD06658539
PubChem SID
180679463
PubChem CID
19365871

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 19365871 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.097837  H Acceptors
H Donor LogD (pH = 5.5) 2.0036182 
LogD (pH = 7.4) 2.0044365  Log P 2.0044556 
Molar Refractivity 35.8377 cm3 Polarizability 13.639748 Å3
Polar Surface Area 33.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source
96% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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