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885272-51-5 molecular structure
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5-(pyridin-2-yl)-1H-indazole

ChemBase ID: 813013
Molecular Formular: C12H9N3
Molecular Mass: 195.21996
Monoisotopic Mass: 195.0796473
SMILES and InChIs

SMILES:
c1n[nH]c2ccc(cc12)c1ncccc1
Canonical SMILES:
c1ccc(nc1)c1ccc2c(c1)cn[nH]2
InChI:
InChI=1S/C12H9N3/c1-2-6-13-11(3-1)9-4-5-12-10(7-9)8-14-15-12/h1-8H,(H,14,15)
InChIKey:
WIRAQILXOCCSRB-UHFFFAOYSA-N

Cite this record

CBID:813013 http://www.chembase.cn/molecule-813013.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(pyridin-2-yl)-1H-indazole
IUPAC Traditional name
5-(pyridin-2-yl)-1H-indazole
Synonyms
5-PYRIDIN-2-YL-1H-INDAZOLE
CAS Number
885272-51-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O33826 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O33826 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.732655  H Acceptors
H Donor LogD (pH = 5.5) 2.0814848 
LogD (pH = 7.4) 2.1112964  Log P 2.111711 
Molar Refractivity 58.6804 cm3 Polarizability 24.838318 Å3
Polar Surface Area 41.57 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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