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pyridine-3-carbonyl pyridine-3-carboxylate

pyridine-3-carbonyl pyridine-3-carboxylate

CAS: 16837-38-0

Formula: C12H8N2O3

SMILES: O=C(OC(=O)C1=CC=CN=C1)C1=CC=CN=C1

IUPAC: pyridine-3-carbonyl pyridine-3-carboxylate

InChI: InChI=1S/C12H8N2O3/c15-11(9-3-1-5-13-7-9)17-12(16)10-4-2-6-14-8-10/h1-8H

Composition: C (63.16%), H (3.53%), N (12.28%), O (21.03%)

Molar Mass: 228.207

Atom Count: 25

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 228.053492126
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey VPODXHOUBDCEHN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.11
Topological Polar Surface Area 69.15
Polarizability 22.62
Ring Count 2
Rotatable Bond Count 4

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