5-(prop-1-yn-1-yl)pyridin-3-ylboronic acid

5-(prop-1-yn-1-yl)pyridin-3-ylboronic acid

CAS: 917471-30-8

Formula: C8H8BNO2

SMILES: CC#CC1=CC(=CN=C1)B(O)O

IUPAC: [5-(prop-1-yn-1-yl)pyridin-3-yl]boronic acid

InChI: InChI=1S/C8H8BNO2/c1-2-3-7-4-8(9(11)12)6-10-5-7/h4-6,11-12H,1H3

Composition: C (59.69%), H (5.01%), B (6.72%), N (8.70%), O (19.88%)

Molar Mass: 160.97

Atom Count: 20

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	161.064809
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	QICKHKWSOJEAII-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	39.12
Topological Polar Surface Area	53.35
Polarizability	17.05
Ring Count	1
Rotatable Bond Count	2

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