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3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pyridine

3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pyridine

CAS: 1286202-05-8

Formula: C14H18BN3O2

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

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

InChI: InChI=1S/C14H18BN3O2/c1-13(2)14(3,4)20-15(19-13)11-8-17-18(10-11)12-6-5-7-16-9-12/h5-10H,1-4H3

Composition: C (62.02%), H (6.69%), B (3.99%), N (15.50%), O (11.80%)

Molar Mass: 271.13

Atom Count: 38

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 271.149207
Formal Charge 0
FSP3 0.43
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey DMXSOTHMZWWOPT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 71.92
Topological Polar Surface Area 49.17
Polarizability 30.18
Ring Count 3
Rotatable Bond Count 2

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