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

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

CAS: 754214-56-7

Formula: C13H17BN2O2

SMILES: CC1(C)OB(OC1(C)C)C1=CN=C2NC=CC2=C1

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

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

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 UOXAMYZTYZLSCC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.6
Topological Polar Surface Area 47.14
Polarizability 27.66
Ring Count 3
Rotatable Bond Count 1

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