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3-amino-6-iodopyrazine-2-carboxylic acid

3-amino-6-iodopyrazine-2-carboxylic acid

CAS: 875781-48-9

Formula: C5H4IN3O2

SMILES: NC1=C(N=C(I)C=N1)C(O)=O

IUPAC: 3-amino-6-iodopyrazine-2-carboxylic acid

InChI: InChI=1S/C5H4IN3O2/c6-2-1-8-4(7)3(9-2)5(10)11/h1H,(H2,7,8)(H,10,11)

Composition: C (22.66%), H (1.52%), I (47.89%), N (15.86%), O (12.07%)

Molar Mass: 265.01

Atom Count: 15

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 264.93482
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey MMXRLDGHYRHOGZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.71
Topological Polar Surface Area 89.1
Polarizability 17.73
Ring Count 1
Rotatable Bond Count 1

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