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3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-ylboronic acid

3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-ylboronic acid

Formula: C7H8BN3O2

SMILES: CC1=NN=C2C=CC(=CN12)B(O)O

IUPAC: {3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl}boronic acid

InChI: InChI=1S/C7H8BN3O2/c1-5-9-10-7-3-2-6(8(12)13)4-11(5)7/h2-4,12-13H,1H3

Composition: C (47.51%), H (4.56%), B (6.11%), N (23.74%), O (18.08%)

Molar Mass: 176.97

Atom Count: 21

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 177.070957
Formal Charge 0
FSP3 0.14
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey FKLWIBNFXSLOBQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.14
Topological Polar Surface Area 70.65
Polarizability 17.41
Ring Count 2
Rotatable Bond Count 1

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Purity LeadTime Formula UnitPrice
98% <10 Days C7H8BN3O2 Quote Only