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methyl 3-amino-6-bromopyridine-2-carboxylate

methyl 3-amino-6-bromopyridine-2-carboxylate

CAS: 866775-09-9

Formula: C7H7BrN2O2

SMILES: COC(=O)C1=NC(Br)=CC=C1N

IUPAC: methyl 3-amino-6-bromopyridine-2-carboxylate

InChI: InChI=1S/C7H7BrN2O2/c1-12-7(11)6-4(9)2-3-5(8)10-6/h2-3H,9H2,1H3

Composition: C (36.39%), H (3.05%), Br (34.58%), N (12.12%), O (13.85%)

Molar Mass: 231.049

Atom Count: 19

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 229.96909
Formal Charge 0
FSP3 0.14
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey FETASVOVQOWEBL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.72
Topological Polar Surface Area 65.21
Polarizability 18.07
Ring Count 1
Rotatable Bond Count 2

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