6-(ethanesulfonyl)pyridin-3-ylboronic acid

6-(ethanesulfonyl)pyridin-3-ylboronic acid

CAS: 1256345-84-2

Formula: C7H10BNO4S

SMILES: CCS(=O)(=O)C1=CC=C(C=N1)B(O)O

IUPAC: [6-(ethanesulfonyl)pyridin-3-yl]boronic acid

InChI: InChI=1S/C7H10BNO4S/c1-2-14(12,13)7-4-3-6(5-9-7)8(10)11/h3-5,10-11H,2H2,1H3

Composition: C (39.10%), H (4.69%), B (5.03%), N (6.51%), O (29.76%), S (14.91%)

Molar Mass: 215.03

Atom Count: 24

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	215.042359
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	NAHDBJRIKJSJMV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.43
Topological Polar Surface Area	87.49
Polarizability	20.54
Ring Count	1
Rotatable Bond Count	3

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