5-amino-6-bromopyrazine-2-carboxylic acid

5-amino-6-bromopyrazine-2-carboxylic acid

CAS: 887352-34-3

Formula: C5H4BrN3O2

SMILES: NC1=NC=C(N=C1Br)C(O)=O

IUPAC: 5-amino-6-bromopyrazine-2-carboxylic acid

InChI: InChI=1S/C5H4BrN3O2/c6-3-4(7)8-1-2(9-3)5(10)11/h1H,(H2,7,8)(H,10,11)

Composition: C (27.55%), H (1.85%), Br (36.65%), N (19.27%), O (14.68%)

Molar Mass: 218.01

Atom Count: 15

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	216.948689
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	ZWJHDIXBWPBYGD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.11
Topological Polar Surface Area	89.1
Polarizability	15.31
Ring Count	1
Rotatable Bond Count	1

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