5-methyl-6-(2-methylpropoxy)pyridin-3-ylboronic acid

5-methyl-6-(2-methylpropoxy)pyridin-3-ylboronic acid

CAS: 1256355-19-7

Formula: C10H16BNO3

SMILES: CC(C)COC1=NC=C(C=C1C)B(O)O

IUPAC: [5-methyl-6-(2-methylpropoxy)pyridin-3-yl]boronic acid

InChI: InChI=1S/C10H16BNO3/c1-7(2)6-15-10-8(3)4-9(5-12-10)11(13)14/h4-5,7,13-14H,6H2,1-3H3

Composition: C (57.45%), H (7.71%), B (5.17%), N (6.70%), O (22.96%)

Molar Mass: 209.05

Atom Count: 31

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	209.122323
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	CMDNHDSDAQMICV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.01
Topological Polar Surface Area	62.58
Polarizability	22.45
Ring Count	1
Rotatable Bond Count	4

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