5-cyanopyridin-3-ylboronic acid

5-cyanopyridin-3-ylboronic acid

CAS: 497147-93-0

Formula: C6H5BN2O2

SMILES: OB(O)C1=CC(=CN=C1)C#N

IUPAC: (5-cyanopyridin-3-yl)boronic acid

InChI: InChI=1S/C6H5BN2O2/c8-2-5-1-6(7(10)11)4-9-3-5/h1,3-4,10-11H

Composition: C (48.72%), H (3.41%), B (7.31%), N (18.94%), O (21.63%)

Molar Mass: 147.93

Atom Count: 16

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	148.044407
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	CYEXXDYQJPRMIQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	34.17
Topological Polar Surface Area	77.14
Polarizability	14.49
Ring Count	1
Rotatable Bond Count	1

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