ethyl 2-(5-bromopyridin-3-yl)acetate

ethyl 2-(5-bromopyridin-3-yl)acetate

CAS: 847375-33-1

Formula: C9H10BrNO2

SMILES: CCOC(=O)CC1=CN=CC(Br)=C1

IUPAC: ethyl 2-(5-bromopyridin-3-yl)acetate

InChI: InChI=1S/C9H10BrNO2/c1-2-13-9(12)4-7-3-8(10)6-11-5-7/h3,5-6H,2,4H2,1H3

Composition: C (44.29%), H (4.13%), Br (32.74%), N (5.74%), O (13.11%)

Molar Mass: 244.088

Atom Count: 23

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	242.989492
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	NKTQZLOIRUPOCR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.35
Topological Polar Surface Area	39.19
Polarizability	20.45
Ring Count	1
Rotatable Bond Count	4

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