2-(5-Tetrazolyl)pyridine - CAS 33893-89-9

Catalog:	BB021886
Product Name:	2-(5-Tetrazolyl)pyridine
CAS:	33893-89-9
Synonyms:	2-(2H-tetrazol-5-yl)pyridine; 2-(2H-tetrazol-5-yl)pyridine

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Computed Properties

IUPAC Name:	2-(2H-tetrazol-5-yl)pyridine
Description:	2-(5-Tetrazolyl)pyridine (CAS# 33893-89-9) is a useful research chemical compound.
Molecular Weight:	147.14
Molecular Formula:	C6H5N5
Canonical SMILES:	C1=CC=NC(=C1)C2=NNN=N2
InChI:	InChI=1S/C6H5N5/c1-2-4-7-5(3-1)6-8-10-11-9-6/h1-4H,(H,8,9,10,11)
InChI Key:	LQWXEEDCMLEVHU-UHFFFAOYSA-N
Boiling Point:	377.1 °C at 760 mmHg
Density:	1.388 g/cm³
Solubility:	10.3 [ug/mL] (The mean of the results at pH 7.4)
MDL:	MFCD00068114
LogP:	0.26170

Publication Number	Title	Priority Date
US-2021205311-A1	Combination Therapy Comprising A2A/A2B and PD-1/PD-L1 Inhibitors	20200103
US-2021230294-A1	Cd73 inhibitor and a2a/a2b adenosine receptor inhibitor combination therapy	20200103
WO-2021138498-A1	Cd73 inhibitor and a2a/a2b adenosine receptor inhibitor combination therapy	20200103
WO-2021138512-A1	Combination therapy comprising a2a/a2b and pd-1/pd-l1 inhibitors	20200103
CN-110628421-A	Application of pyridine tetrazole tetranuclear copper [ I ] complex in stimulus response luminescent and photochromic material	20191105

PMID	Publication Date	Title	Journal
21837026	20110701	Benzene-1,3,5-tricarb-oxy-lic acid-5-(pyridin-1-ium-3-yl)-5H-1,2,3,4-tetra-zol-5-ide (1/1)	Acta crystallographica. Section E, Structure reports online
21522603	20101218	Bromidotricarbon-yl[2-phenyl-5-(pyridin-2-yl-κN)-1,3,4-oxadiazole-κN]rhenium(I) dichloro-methane monosolvate	Acta crystallographica. Section E, Structure reports online
21583337	20090704	Bis[μ-5-(2-pyrid-yl)tetra-zolato]-κN,N:N;κN:N,N-bis-[triaqua-zinc(II)] bis-(trifluoro-acetate) monohydrate	Acta crystallographica. Section E, Structure reports online
21583329	20090701	Aqua-chloridobis[5-(2-pyrid-yl)-1H-tetra-zolato-κN]iron(III)	Acta crystallographica. Section E, Structure reports online
21582333	20090311	Diaqua-bis[5-(2-pyrid-yl)tetra-zolato-κN,N]iron(II)	Acta crystallographica. Section E, Structure reports online

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Complexity:	128
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	147.05449518
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	147.05449518
Rotatable Bond Count:	1
Topological Polar Surface Area:	67.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1