3-fluoropyridin-4-ylboronic acid hydrate

3-fluoropyridin-4-ylboronic acid hydrate

CAS: 1029880-18-9

Formula: C5H7BFNO3

SMILES: O.OB(O)C1=CC=NC=C1F

IUPAC: (3-fluoropyridin-4-yl)boronic acid hydrate

InChI: InChI=1S/C5H5BFNO2.H2O/c7-5-3-8-2-1-4(5)6(9)10;/h1-3,9-10H;1H2

Composition: C (37.79%), H (4.44%), B (6.80%), F (11.95%), N (8.81%), O (30.20%)

Molar Mass: 158.92

Atom Count: 18

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	159.050301
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	MESGEMIQUNLQHJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	28.66
Topological Polar Surface Area	53.35
Polarizability	12.4
Ring Count	1
Rotatable Bond Count	1

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