3-(pyrrolidine-1-carbonyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

3-(pyrrolidine-1-carbonyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

CAS: 1218790-21-6

Formula: C16H23BN2O3

SMILES: CC1(C)OB(OC1(C)C)C1=CC(=CN=C1)C(=O)N1CCCC1

IUPAC: 3-(pyrrolidine-1-carbonyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

InChI: InChI=1S/C16H23BN2O3/c1-15(2)16(3,4)22-17(21-15)13-9-12(10-18-11-13)14(20)19-7-5-6-8-19/h9-11H,5-8H2,1-4H3

Composition: C (63.60%), H (7.67%), B (3.58%), N (9.27%), O (15.88%)

Molar Mass: 302.18

Atom Count: 45

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	302.180173
Formal Charge	0
FSP3	0.62
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	DVGPHVSHYIYXFC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	79.97
Topological Polar Surface Area	51.66
Polarizability	32.57
Ring Count	3
Rotatable Bond Count	2

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