5-(dihydroxymethyl)pyridin-2-ylboronic acid

5-(dihydroxymethyl)pyridin-2-ylboronic acid

CAS: 1217500-70-3

Formula: C6H8BNO4

SMILES: OB(O)C1=CC=C(C=N1)C(O)O

IUPAC: [5-(dihydroxymethyl)pyridin-2-yl]boronic acid

InChI: InChI=1S/C6H8BNO4/c9-6(10)4-1-2-5(7(11)12)8-3-4/h1-3,6,9-12H

Composition: C (42.66%), H (4.77%), B (6.40%), N (8.29%), O (37.88%)

Molar Mass: 168.94

Atom Count: 20

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	169.054638
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	4
InChIKey	AXYDZFXXXNEJGN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	36.61
Topological Polar Surface Area	93.81
Polarizability	15.79
Ring Count	1
Rotatable Bond Count	2

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