2-methyl-5-nitro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

2-methyl-5-nitro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

CAS: 1008138-66-6

Formula: C12H17BN2O4

SMILES: CC1=NC=C(C=C1B1OC(C)(C)C(C)(C)O1)[N+]([O-])=O

IUPAC: 2-methyl-5-nitro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

InChI: InChI=1S/C12H17BN2O4/c1-8-10(6-9(7-14-8)15(16)17)13-18-11(2,3)12(4,5)19-13/h6-7H,1-5H3

Composition: C (54.58%), H (6.49%), B (4.09%), N (10.61%), O (24.23%)

Molar Mass: 264.09

Atom Count: 36

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	264.128137
Formal Charge	0
FSP3	0.58
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	IYYWRANRHLVQPQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.47
Topological Polar Surface Area	74.49
Polarizability	26.77
Ring Count	2
Rotatable Bond Count	2

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