methyl 3-amino-5-bromopyridine-2-carboxylate

methyl 3-amino-5-bromopyridine-2-carboxylate

CAS: 1072448-08-8

Formula: C7H7BrN2O2

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

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

InChI: InChI=1S/C7H7BrN2O2/c1-12-7(11)6-5(9)2-4(8)3-10-6/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	DWRSWUPHDNTLKJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.88
Topological Polar Surface Area	65.21
Polarizability	18.02
Ring Count	1
Rotatable Bond Count	2

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