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3-bromo-5-(2H-1,2,3,4-tetrazol-5-yl)pyridine

3-bromo-5-(2H-1,2,3,4-tetrazol-5-yl)pyridine

CAS: 211943-13-4

Formula: C6H4BrN5

SMILES: BrC1=CN=CC(=C1)C1=NNN=N1

IUPAC: 3-bromo-5-(2H-1,2,3,4-tetrazol-5-yl)pyridine

InChI: InChI=1S/C6H4BrN5/c7-5-1-4(2-8-3-5)6-9-11-12-10-6/h1-3H,(H,9,10,11,12)

Composition: C (31.88%), H (1.78%), Br (35.35%), N (30.98%)

Molar Mass: 226.037

Atom Count: 16

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 224.965008
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey XJGDASCALCDOQH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.89
Topological Polar Surface Area 67.35
Polarizability 17.73
Ring Count 2
Rotatable Bond Count 1

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