tert-butyl N-[5-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]carbamate

tert-butyl N-[5-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]carbamate

CAS: 1105675-61-3

Formula: C17H27BN2O5

SMILES: COC1=CN=CC(NC(=O)OC(C)(C)C)=C1B1OC(C)(C)C(C)(C)O1

IUPAC: tert-butyl N-[5-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]carbamate

InChI: InChI=1S/C17H27BN2O5/c1-15(2,3)23-14(21)20-11-9-19-10-12(22-8)13(11)18-24-16(4,5)17(6,7)25-18/h9-10H,1-8H3,(H,20,21)

Composition: C (58.30%), H (7.77%), B (3.09%), N (8.00%), O (22.84%)

Molar Mass: 350.22

Atom Count: 52

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	350.201302
Formal Charge	0
FSP3	0.65
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	SMZCWXDCKVKEMX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	90.31
Topological Polar Surface Area	78.91
Polarizability	36.75
Ring Count	2
Rotatable Bond Count	5

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