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

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

CAS: 219508-87-9

Formula: C7H5BrN4

SMILES: BrC1=NC(=NN1)C1=NC=CC=C1

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

InChI: InChI=1S/C7H5BrN4/c8-7-10-6(11-12-7)5-3-1-2-4-9-5/h1-4H,(H,10,11,12)

Composition: C (37.36%), H (2.24%), Br (35.51%), N (24.90%)

Molar Mass: 225.049

Atom Count: 17

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	223.969759
Formal Charge	0
FSP3	0
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	RJIVYLRDPMZJGI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.43
Topological Polar Surface Area	54.46
Polarizability	18.61
Ring Count	2
Rotatable Bond Count	1

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