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1159819-76-7 molecular structure
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5-tert-butylpyridin-2-ol

ChemBase ID: 798909
Molecular Formular: C9H13NO
Molecular Mass: 151.20562
Monoisotopic Mass: 151.09971404
SMILES and InChIs

SMILES:
n1c(ccc(c1)C(C)(C)C)O
Canonical SMILES:
Oc1ccc(cn1)C(C)(C)C
InChI:
InChI=1S/C9H13NO/c1-9(2,3)7-4-5-8(11)10-6-7/h4-6H,1-3H3,(H,10,11)
InChIKey:
LHRUDEBUIUHOFL-UHFFFAOYSA-N

Cite this record

CBID:798909 http://www.chembase.cn/molecule-798909.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-tert-butylpyridin-2-ol
IUPAC Traditional name
5-tert-butylpyridin-2-ol
Synonyms
5-tert-butylpyridin-2-ol
CAS Number
1159819-76-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O12637 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O12637 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.021553  H Acceptors
H Donor LogD (pH = 5.5) 2.5908656 
LogD (pH = 7.4) 2.5915034  Log P 2.591522 
Molar Refractivity 44.8614 cm3 Polarizability 17.323668 Å3
Polar Surface Area 33.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
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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