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ethyl 2-amino-5-bromopyridine-3-carboxylate

ethyl 2-amino-5-bromopyridine-3-carboxylate

CAS: 433226-06-3

Formula: C8H9BrN2O2

SMILES: CCOC(=O)C1=CC(Br)=CN=C1N

IUPAC: ethyl 2-amino-5-bromopyridine-3-carboxylate

InChI: InChI=1S/C8H9BrN2O2/c1-2-13-8(12)6-3-5(9)4-11-7(6)10/h3-4H,2H2,1H3,(H2,10,11)

Composition: C (39.21%), H (3.70%), Br (32.60%), N (11.43%), O (13.06%)

Molar Mass: 245.076

Atom Count: 22

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 243.984741
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey QGADVECLXFPSOE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.31
Topological Polar Surface Area 65.21
Polarizability 19.81
Ring Count 1
Rotatable Bond Count 3

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