6-(cyclopropylmethoxy)pyridin-3-ylboronic acid

6-(cyclopropylmethoxy)pyridin-3-ylboronic acid

CAS: 1028749-31-6

Formula: C9H12BNO3

SMILES: OB(O)C1=CC=C(OCC2CC2)N=C1

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

InChI: InChI=1S/C9H12BNO3/c12-10(13)8-3-4-9(11-5-8)14-6-7-1-2-7/h3-5,7,12-13H,1-2,6H2

Composition: C (56.01%), H (6.27%), B (5.60%), N (7.26%), O (24.87%)

Molar Mass: 193.01

Atom Count: 26

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	193.091023
Formal Charge	0
FSP3	0.44
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	FYVJFCKZJMJNAX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.17
Topological Polar Surface Area	62.58
Polarizability	19.97
Ring Count	2
Rotatable Bond Count	4

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