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ethyl 5-amino-6-bromo-2-methylpyridine-3-carboxylate

ethyl 5-amino-6-bromo-2-methylpyridine-3-carboxylate

CAS: 1149388-64-6

Formula: C9H11BrN2O2

SMILES: CCOC(=O)C1=CC(N)=C(Br)N=C1C

IUPAC: ethyl 5-amino-6-bromo-2-methylpyridine-3-carboxylate

InChI: InChI=1S/C9H11BrN2O2/c1-3-14-9(13)6-4-7(11)8(10)12-5(6)2/h4H,3,11H2,1-2H3

Composition: C (41.72%), H (4.28%), Br (30.84%), N (10.81%), O (12.35%)

Molar Mass: 259.103

Atom Count: 25

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 258.000391
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey AAMKCVXAHVFSND-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.43
Topological Polar Surface Area 65.21
Polarizability 21.59
Ring Count 1
Rotatable Bond Count 3

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