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6-bromo-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylic acid

6-bromo-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylic acid

CAS: 1159831-86-3

Formula: C7H4BrN3O2

SMILES: OC(=O)C1=NN=C2C=CC(Br)=CN12

IUPAC: 6-bromo-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylic acid

InChI: InChI=1S/C7H4BrN3O2/c8-4-1-2-5-9-10-6(7(12)13)11(5)3-4/h1-3H,(H,12,13)

Composition: C (34.74%), H (1.67%), Br (33.01%), N (17.36%), O (13.22%)

Molar Mass: 242.032

Atom Count: 17

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 240.948689
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey FEUNUSVOGGZMLE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.51
Topological Polar Surface Area 67.49
Polarizability 17.89
Ring Count 2
Rotatable Bond Count 1

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