4-(2H-Tetrazol-5-Yl)-Pyridine

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Catalog Number
ACM33893899
Product Name
4-(2H-Tetrazol-5-Yl)-Pyridine
Structure
Structure
CAS
33893-89-9
Category
Heterocyclic Organic Compound
Synonyms
5-(2-Pyridyl)-1H-tetrazole; pyridine,2-(2h-tetrazol-5-yl); 5-(2-pyridyl)-2H-1,2,3,4-tetraazole; 2-(1H-tetrazole-5-yl)pyridine; 2-(2H-TETRAAZOL-5-YL)PYRIDINE; 5-(2-Pyridinyl)tetrazole; 2-(1H-tetrazol-5-yl) pyridine; 5-(pyridin-2-yl)-1H-tetrazole; 5-(2-Pyri
IUPAC Name
2-(2H-tetrazol-5-yl)pyridine
Molecular Weight
147.13
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
377.1ºC at 760mmHg
Melting Point
214-215ºC
Flash Point
190.9ºC
Density
1.388g/cm³
Solubility
10.3 [ug/mL]
Complexity
128
CompoundIs Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
147.05449518g/mol
Formal Charge
0
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
4
H-Bond Donor
1
Heavy Atom Count
11
Hydrogen Bond Acceptor Count
4
Hydrogen Bond Donor Count
1
Isotope Atom Count
0
Monoisotopic Mass
147.05449518g/mol
NSC Number
267037
Rotatable Bond Count
1
Safety Description
26-36/37/39
Topological Polar Surface Area
67.4Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
0.1
MSDS
Download MSDS
COA
Download COA
Spec Sheet
Download Spec Sheet
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