5-(dihydroxyboranyl)pyridine-2-carboxylic acid

5-(dihydroxyboranyl)pyridine-2-carboxylic acid

CAS: 913836-11-0

Formula: C6H6BNO4

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

IUPAC: 5-(dihydroxyboranyl)pyridine-2-carboxylic acid

InChI: InChI=1S/C6H6BNO4/c9-6(10)5-2-1-4(3-8-5)7(11)12/h1-3,11-12H,(H,9,10)

Composition: C (43.17%), H (3.62%), B (6.48%), N (8.39%), O (38.34%)

Molar Mass: 166.93

Atom Count: 18

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	167.038988
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	UEKWXZLQKGKCEQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	35.33
Topological Polar Surface Area	90.65
Polarizability	15.08
Ring Count	1
Rotatable Bond Count	2

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