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5-(6-aminopyridin-3-yl)benzene-1,3-dicarboxylic acid

5-(6-aminopyridin-3-yl)benzene-1,3-dicarboxylic acid

Formula: C13H10N2O4

SMILES: NC1=NC=C(C=C1)C1=CC(=CC(=C1)C(O)=O)C(O)=O

IUPAC: 5-(6-aminopyridin-3-yl)benzene-1,3-dicarboxylic acid

InChI: InChI=1S/C13H10N2O4/c14-11-2-1-7(6-15-11)8-3-9(12(16)17)5-10(4-8)13(18)19/h1-6H,(H2,14,15)(H,16,17)(H,18,19)

Composition: C (60.47%), H (3.90%), N (10.85%), O (24.78%)

Molar Mass: 258.233

Atom Count: 29

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 258.06405681
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 3
InChIKey GNWVYUKVICVLRC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.56
Topological Polar Surface Area 113.51
Polarizability 26.18
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime Formula UnitPrice
98% <10 Days C13H10N2O4 Quote Only