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

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

CAS: 1216301-85-7

Formula: C7H6BrN3

SMILES: CC1=CC(Br)=CN2C=NN=C12

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

InChI: InChI=1S/C7H6BrN3/c1-5-2-6(8)3-11-4-9-10-7(5)11/h2-4H,1H3

Composition: C (39.65%), H (2.85%), Br (37.68%), N (19.82%)

Molar Mass: 212.05

Atom Count: 17

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 210.97451
Formal Charge 0
FSP3 0.14
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey NSPWKKCAECFRFU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.82
Topological Polar Surface Area 30.19
Polarizability 17.07
Ring Count 2
Rotatable Bond Count 0

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