Molecular Structure of 2-(Boc-amino)-4-bromopyridine (CAS NO.207799-10-8):

IUPAC Name: tert-Butyl N-(4-bromopyridin-2-yl)carbamate
Canonical SMILES: CC(C)(C)OC(=O)NC1=NC=CC(=C1)Br
InChI: InChI=1S/C10H13BrN2O2/c1-10(2,3)15-9(14)13-8-6-7(11)4-5-12-8/h4-6H,1-3H3,(H,12,13,14)
InChIKey: IRRRVCLDPODLJG-UHFFFAOYSA-N
Molecular Weight: 273.12642 [g/mol]
Molecular Formula: C₁₀H₁₃BrN₂O₂
XLogP3-AA: 2.4
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 3
Tautomer Count: 3
Exact Mass: 272.01604
MonoIsotopic Mass: 272.01604
Topological Polar Surface Area: 51.2
Heavy Atom Count: 15
Complexity: 228 
Index of Refraction: 1.573
Molar Refractivity: 61.916 cm³
Molar Volume: 187.856 cm³
Surface Tension: 46.204 dyne/cm
Density: 1.454 g/cm³
Flash Point: 133.239 °C
Enthalpy of Vaporization: 53.65 kJ/mol
Boiling Point: 296.698 °C at 760 mmHg
Vapour Pressure: 0.001 mmHg at 25 °C
Product Categories: Halides; Pyridines

  2-(Boc-amino)-4-bromopyridine (CAS NO.207799-10-8), its Synonyms are tert-Butyl 4-bromopyridin-2-ylcarbamate ; Carbamic acid, N-(4-bromo-2-pyridinyl)-, 1,1-dimethylethyl ester ; tert-Butyl (4-bromopyridin-2-yl)carbamate .