tert-butyl 2-bromopyridine-3-carboxylate

tert-butyl 2-bromopyridine-3-carboxylate

CAS: 168629-64-9

Formula: C10H12BrNO2

SMILES: CC(C)(C)OC(=O)C1=CC=CN=C1Br

IUPAC: tert-butyl 2-bromopyridine-3-carboxylate

InChI: InChI=1S/C10H12BrNO2/c1-10(2,3)14-9(13)7-5-4-6-12-8(7)11/h4-6H,1-3H3

Composition: C (46.53%), H (4.69%), Br (30.96%), N (5.43%), O (12.40%)

Molar Mass: 258.115

Atom Count: 26

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	257.005142
Formal Charge	0
FSP3	0.4
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	OUJNDKUAPNBGCN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.2
Topological Polar Surface Area	39.19
Polarizability	22.29
Ring Count	1
Rotatable Bond Count	3

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