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142502-88-3 molecular structure
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3-ethynylpyridin-2-ol

ChemBase ID: 813991
Molecular Formular: C7H5NO
Molecular Mass: 119.1207
Monoisotopic Mass: 119.03711379
SMILES and InChIs

SMILES:
n1c(c(ccc1)C#C)O
Canonical SMILES:
C#Cc1cccnc1O
InChI:
InChI=1S/C7H5NO/c1-2-6-4-3-5-8-7(6)9/h1,3-5H,(H,8,9)
InChIKey:
DYXYXOXAWBFIIZ-UHFFFAOYSA-N

Cite this record

CBID:813991 http://www.chembase.cn/molecule-813991.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-ethynylpyridin-2-ol
IUPAC Traditional name
3-ethynylpyridin-2-ol
Synonyms
3-ethynylpyridin-2-ol
CAS Number
142502-88-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O36114 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O36114 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.927265  H Acceptors
H Donor LogD (pH = 5.5) 1.1972346 
LogD (pH = 7.4) 1.1971726  Log P 1.1973009 
Molar Refractivity 31.3678 cm3 Polarizability 12.614066 Å3
Polar Surface Area 33.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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