pyridin-4-ylboronic acid

pyridin-4-ylboronic acid

CAS: 1692-15-5

Formula: C5H6BNO2

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

IUPAC: (pyridin-4-yl)boronic acid

InChI: InChI=1S/C5H6BNO2/c8-6(9)5-1-3-7-4-2-5/h1-4,8-9H

Composition: C (48.86%), H (4.92%), B (8.79%), N (11.40%), O (26.03%)

Molar Mass: 122.92

Atom Count: 15

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	123.049158
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	QLULGIRFKAWHOJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	28.45
Topological Polar Surface Area	53.35
Polarizability	12.64
Ring Count	1
Rotatable Bond Count	1

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