6-(2,2-dimethylpropanamido)pyridin-3-ylboronic acid

6-(2,2-dimethylpropanamido)pyridin-3-ylboronic acid

CAS: 1287752-89-9

Formula: C10H15BN2O3

SMILES: CC(C)(C)C(=O)NC1=NC=C(C=C1)B(O)O

IUPAC: [6-(2,2-dimethylpropanamido)pyridin-3-yl]boronic acid

InChI: InChI=1S/C10H15BN2O3/c1-10(2,3)9(14)13-8-5-4-7(6-12-8)11(15)16/h4-6,15-16H,1-3H3,(H,12,13,14)

Composition: C (54.09%), H (6.81%), B (4.87%), N (12.62%), O (21.62%)

Molar Mass: 222.05

Atom Count: 31

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	222.117572
Formal Charge	0
FSP3	0.4
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	UMNSJQDICLTXBG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.33
Topological Polar Surface Area	82.45
Polarizability	23.06
Ring Count	1
Rotatable Bond Count	3

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