6-(bromomethyl)pyridin-2-yl acetate

6-(bromomethyl)pyridin-2-yl acetate

CAS: 146462-25-1

Formula: C8H8BrNO2

SMILES: CC(=O)OC1=CC=CC(CBr)=N1

IUPAC: 6-(bromomethyl)pyridin-2-yl acetate

InChI: InChI=1S/C8H8BrNO2/c1-6(11)12-8-4-2-3-7(5-9)10-8/h2-4H,5H2,1H3

Composition: C (41.77%), H (3.51%), Br (34.73%), N (6.09%), O (13.91%)

Molar Mass: 230.061

Atom Count: 20

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	228.973842
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	YXMYRWPFBUNJRL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.68
Topological Polar Surface Area	39.19
Polarizability	18.55
Ring Count	1
Rotatable Bond Count	3

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