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6-amino-5-bromopyridine-3-sulfonic acid

6-amino-5-bromopyridine-3-sulfonic acid

CAS: 247582-62-3

Formula: C5H5BrN2O3S

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

IUPAC: 6-amino-5-bromopyridine-3-sulfonic acid

InChI: InChI=1S/C5H5BrN2O3S/c6-4-1-3(12(9,10)11)2-8-5(4)7/h1-2H,(H2,7,8)(H,9,10,11)

Composition: C (23.73%), H (1.99%), Br (31.57%), N (11.07%), O (18.97%), S (12.67%)

Molar Mass: 253.07

Atom Count: 17

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 251.920426
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey AQPIHLQSXPSMHZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.16
Topological Polar Surface Area 93.28
Polarizability 18.39
Ring Count 1
Rotatable Bond Count 1

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