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2,6-dimethoxypyridin-4-ylboronic acid

2,6-dimethoxypyridin-4-ylboronic acid

CAS: 1220188-37-3

Formula: C7H10BNO4

SMILES: COC1=CC(=CC(OC)=N1)B(O)O

IUPAC: (2,6-dimethoxypyridin-4-yl)boronic acid

InChI: InChI=1S/C7H10BNO4/c1-12-6-3-5(8(10)11)4-7(9-6)13-2/h3-4,10-11H,1-2H3

Composition: C (45.95%), H (5.51%), B (5.91%), N (7.66%), O (34.98%)

Molar Mass: 182.97

Atom Count: 23

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 183.070288
Formal Charge 0
FSP3 0.29
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey LVPPPYUWMHROKN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 42
Topological Polar Surface Area 71.81
Polarizability 17.74
Ring Count 1
Rotatable Bond Count 3

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