6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[3,2-b]pyridine

6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[3,2-b]pyridine

CAS: 1045855-91-1

Formula: C13H17BN2O2

SMILES: CC1(C)OB(OC1(C)C)C1=CN=C2C=CNC2=C1

IUPAC: 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[3,2-b]pyridine

InChI: InChI=1S/C13H17BN2O2/c1-12(2)13(3,4)18-14(17-12)9-7-11-10(16-8-9)5-6-15-11/h5-8,15H,1-4H3

Composition: C (63.97%), H (7.02%), B (4.43%), N (11.48%), O (13.11%)

Molar Mass: 244.1

Atom Count: 35

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	244.138308
Formal Charge	0
FSP3	0.46
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	LVVACKKTPDWXJM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.27
Topological Polar Surface Area	47.14
Polarizability	28.34
Ring Count	3
Rotatable Bond Count	1

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