5-cyano-6-(dimethylamino)pyridin-3-ylboronic acid

5-cyano-6-(dimethylamino)pyridin-3-ylboronic acid

Formula: C8H10BN3O2

SMILES: CN(C)C1=C(C=C(C=N1)B(O)O)C#N

IUPAC: [5-cyano-6-(dimethylamino)pyridin-3-yl]boronic acid

InChI: InChI=1S/C8H10BN3O2/c1-12(2)8-6(4-10)3-7(5-11-8)9(13)14/h3,5,13-14H,1-2H3

Composition: C (50.31%), H (5.28%), B (5.66%), N (22.00%), O (16.75%)

Molar Mass: 191

Atom Count: 24

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	191.086607
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	HREHVJNXMDPJJT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.91
Topological Polar Surface Area	80.38
Polarizability	19.31
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C8H10BN3O2		Quote Only