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6-acetamidopyridine-3-carboxylic acid

6-acetamidopyridine-3-carboxylic acid

CAS: 21550-48-1

Formula: C8H8N2O3

SMILES: CC(=O)NC1=CC=C(C=N1)C(O)=O

IUPAC: 6-acetamidopyridine-3-carboxylic acid

InChI: InChI=1S/C8H8N2O3/c1-5(11)10-7-3-2-6(4-9-7)8(12)13/h2-4H,1H3,(H,12,13)(H,9,10,11)

Composition: C (53.33%), H (4.48%), N (15.55%), O (26.64%)

Molar Mass: 180.163

Atom Count: 21

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 180.053492126
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey RXSLHYTZMIUANX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.33
Topological Polar Surface Area 79.29
Polarizability 16.74
Ring Count 1
Rotatable Bond Count 2

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