1H-Pyrazolo[3,4-c]pyridine - CAS 271-47-6

Name: 1H-Pyrazolo[3,4-c]pyridine
Brand: BOC Sciences
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Catalog:	BB019483
Product Name:	1H-Pyrazolo[3,4-c]pyridine
CAS:	271-47-6
Synonyms:	1H-pyrazolo[3,4-c]pyridine

Technical Data

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Computed Properties

IUPAC Name:	1H-pyrazolo[3,4-c]pyridine
Description:	1H-Pyrazolo[3,4-c]pyridine (CAS# 271-47-6) is a useful research chemical for organic synthesis and other chemical processes.
Molecular Weight:	119.12
Molecular Formula:	C6H5N3
Canonical SMILES:	C1=CN=CC2=C1C=NN2
InChI:	InChI=1S/C6H5N3/c1-2-7-4-6-5(1)3-8-9-6/h1-4H,(H,8,9)
InChI Key:	KNYHISBJRQVMAZ-UHFFFAOYSA-N
Boiling Point:	318.8 °C at 760 mmHg
Purity:	97.0 %
Density:	1.348 g/cm³
MDL:	MFCD00661308
LogP:	0.95790

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Related Functional Groups

Pyridines

[149463-07-0]C6H6Cl2FN
2-(Chloromethyl)-3-fluoropyridine Hydrochloride
[942206-23-7]C5H2Cl2IN
2,5-Dichloro-3-iodopyridine
[7356-60-7]C6H8ClN3
3-Amidinopyridine Hydrochloride
[643762-61-2]C6H4Br2FN
3-Bromo-2-(bromomethyl)-6-fluoropyridine
[144584-32-7]C5H2BrCl2N
3-Bromo-2,4-dichloropyridine
[1087659-19-5]C14H12N2O4
3-Methoxy-5-(phenylcarbamoyl)isonicotinic acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

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PMID	Publication Date	Title	Journal
32945666	20201022	Synthesis and Structure-Activity Relationship of Dual-Stage Antimalarial Pyrazolo[3,4-b]pyridines	Journal of medicinal chemistry
22825562	20120907	Au(I)-catalyzed and iodine-mediated cyclization of enynylpyrazoles to provide pyrazolo[1,5-a]pyridines	Organic & biomolecular chemistry
21723178	20120101	Ultrasound assisted one-pot, three-components synthesis of pyrimido[1,2-a]benzimidazoles and pyrazolo[3,4-b]pyridines: A new access via phenylsulfone synthon	Ultrasonics sonochemistry
21733750	20111015	Synthesis, X-ray crystal structure and fluorescent spectra of novel pyrazolo[1,5-a]pyrazin-4(5H)-one derivatives	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
21764304	20110915	Phosphodiesterase inhibitors. Part 2: design, synthesis, and structure-activity relationships of dual PDE3/4-inhibitory pyrazolo[1,5-a]pyridines with anti-inflammatory and bronchodilatory activity	Bioorganic & medicinal chemistry letters

Complexity:	105
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	119.048347172
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	119.048347172
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5