methyl 2-(3-bromopyridin-4-yl)acetate

methyl 2-(3-bromopyridin-4-yl)acetate

CAS: 162615-12-5

Formula: C8H8BrNO2

SMILES: COC(=O)CC1=C(Br)C=NC=C1

IUPAC: methyl 2-(3-bromopyridin-4-yl)acetate

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

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	AMMJWCPUBIBZEG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.6
Topological Polar Surface Area	39.19
Polarizability	18.65
Ring Count	1
Rotatable Bond Count	3

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