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

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

CAS: 1216475-30-7

Formula: C7H4BrN3O2

SMILES: OC(=O)C1=CN2C=NN=C2C(Br)=C1

IUPAC: 8-bromo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

InChI: InChI=1S/C7H4BrN3O2/c8-5-1-4(7(12)13)2-11-3-9-10-6(5)11/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	HDEOWHVZVQHAPO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.03
Topological Polar Surface Area	67.49
Polarizability	17.89
Ring Count	2
Rotatable Bond Count	1

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