ethyl 3-bromopyridine-2-carboxylate

ethyl 3-bromopyridine-2-carboxylate

CAS: 434319-41-2

Formula: C8H8BrNO2

SMILES: CCOC(=O)C1=C(Br)C=CC=N1

IUPAC: ethyl 3-bromopyridine-2-carboxylate

InChI: InChI=1S/C8H8BrNO2/c1-2-12-8(11)7-6(9)4-3-5-10-7/h3-5H,2H2,1H3

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	FQVBRIVSBFQMQA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.93
Topological Polar Surface Area	39.19
Polarizability	18.64
Ring Count	1
Rotatable Bond Count	3

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