methyl 5-(bromomethyl)pyridine-2-carboxylate

methyl 5-(bromomethyl)pyridine-2-carboxylate

CAS: 55876-84-1

Formula: C8H8BrNO2

SMILES: COC(=O)C1=CC=C(CBr)C=N1

IUPAC: methyl 5-(bromomethyl)pyridine-2-carboxylate

InChI: InChI=1S/C8H8BrNO2/c1-12-8(11)7-3-2-6(4-9)5-10-7/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	SIMKVUKTEMRUSF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.4
Topological Polar Surface Area	39.19
Polarizability	18.54
Ring Count	1
Rotatable Bond Count	3

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