5-bromo-2-fluoropyridin-3-ylboronic acid

5-bromo-2-fluoropyridin-3-ylboronic acid

CAS: 501435-91-2

Formula: C5H4BBrFNO2

SMILES: OB(O)C1=CC(Br)=CN=C1F

IUPAC: (5-bromo-2-fluoropyridin-3-yl)boronic acid

InChI: InChI=1S/C5H4BBrFNO2/c7-3-1-4(6(10)11)5(8)9-2-3/h1-2,10-11H

Composition: C (27.32%), H (1.83%), B (4.92%), Br (36.35%), F (8.64%), N (6.37%), O (14.56%)

Molar Mass: 219.8

Atom Count: 15

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	218.95025
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	YAXKWQSQZIVTFC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	37.3
Topological Polar Surface Area	53.35
Polarizability	15.49
Ring Count	1
Rotatable Bond Count	1

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