3-chloro-4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)pyridine

3-chloro-4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)pyridine

CAS: 915070-52-9

Formula: C10H13BClNO2

SMILES: CC1(C)COB(OC1)C1=CC=NC=C1Cl

IUPAC: 3-chloro-4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)pyridine

InChI: InChI=1S/C10H13BClNO2/c1-10(2)6-14-11(15-7-10)8-3-4-13-5-9(8)12/h3-5H,6-7H2,1-2H3

Composition: C (53.27%), H (5.81%), B (4.79%), Cl (15.72%), N (6.21%), O (14.19%)

Molar Mass: 225.48

Atom Count: 28

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	225.072786
Formal Charge	0
FSP3	0.5
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	FZBSYLRGRQBBQS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.87
Topological Polar Surface Area	31.35
Polarizability	23.17
Ring Count	2
Rotatable Bond Count	1

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