tert-butyl 6-(bromomethyl)pyridine-2-carboxylate

tert-butyl 6-(bromomethyl)pyridine-2-carboxylate

CAS: 1332367-16-4

Formula: C11H14BrNO2

SMILES: CC(C)(C)OC(=O)C1=NC(CBr)=CC=C1

IUPAC: tert-butyl 6-(bromomethyl)pyridine-2-carboxylate

InChI: InChI=1S/C11H14BrNO2/c1-11(2,3)15-10(14)9-6-4-5-8(7-12)13-9/h4-6H,7H2,1-3H3

Composition: C (48.55%), H (5.19%), Br (29.36%), N (5.15%), O (11.76%)

Molar Mass: 272.142

Atom Count: 29

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	271.020792
Formal Charge	0
FSP3	0.45
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	KNINFJIIRCTTJJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.69
Topological Polar Surface Area	39.19
Polarizability	23.96
Ring Count	1
Rotatable Bond Count	4

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