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5-fluoro-2-methoxypyridin-4-ylboronic acid

5-fluoro-2-methoxypyridin-4-ylboronic acid

CAS: 1043869-98-2

Formula: C6H7BFNO3

SMILES: COC1=NC=C(F)C(=C1)B(O)O

IUPAC: (5-fluoro-2-methoxypyridin-4-yl)boronic acid

InChI: InChI=1S/C6H7BFNO3/c1-12-6-2-4(7(10)11)5(8)3-9-6/h2-3,10-11H,1H3

Composition: C (42.16%), H (4.13%), B (6.32%), F (11.11%), N (8.19%), O (28.08%)

Molar Mass: 170.93

Atom Count: 19

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 171.050301
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey VGPMZARHJYGFSE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 35.44
Topological Polar Surface Area 62.58
Polarizability 14.97
Ring Count 1
Rotatable Bond Count 2

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