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748796-38-5 molecular structure
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[6-(1H-pyrazol-1-yl)pyridin-3-yl]methanol

ChemBase ID: 799270
Molecular Formular: C9H9N3O
Molecular Mass: 175.18726
Monoisotopic Mass: 175.07456192
SMILES and InChIs

SMILES:
C(O)c1cnc(cc1)n1nccc1
Canonical SMILES:
OCc1ccc(nc1)n1cccn1
InChI:
InChI=1S/C9H9N3O/c13-7-8-2-3-9(10-6-8)12-5-1-4-11-12/h1-6,13H,7H2
InChIKey:
VJGBDROPWUIYLD-UHFFFAOYSA-N

Cite this record

CBID:799270 http://www.chembase.cn/molecule-799270.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[6-(1H-pyrazol-1-yl)pyridin-3-yl]methanol
IUPAC Traditional name
[6-(pyrazol-1-yl)pyridin-3-yl]methanol
Synonyms
(6-Pyrazol-1-yl-pyridin-3-yl)-methanol
CAS Number
748796-38-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O13681 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O13681 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.787058  H Acceptors
H Donor LogD (pH = 5.5) 0.66842175 
LogD (pH = 7.4) 0.66849864  Log P 0.66849965 
Molar Refractivity 49.3922 cm3 Polarizability 18.297897 Å3
Polar Surface Area 50.94 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
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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