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methyl 2-bromo-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate

methyl 2-bromo-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate

CAS: 1795232-59-5

Formula: C8H6BrN3O2

SMILES: COC(=O)C1=CN2N=C(Br)N=C2C=C1

IUPAC: methyl 2-bromo-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate

InChI: InChI=1S/C8H6BrN3O2/c1-14-7(13)5-2-3-6-10-8(9)11-12(6)4-5/h2-4H,1H3

Composition: C (37.53%), H (2.36%), Br (31.21%), N (16.41%), O (12.50%)

Molar Mass: 256.059

Atom Count: 20

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 254.964339
Formal Charge 0
FSP3 0.12
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey HRKNVEBXWJDVFK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.87
Topological Polar Surface Area 56.49
Polarizability 19.98
Ring Count 2
Rotatable Bond Count 2

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