benzyl 6-aminopyridine-3-carboxylate

benzyl 6-aminopyridine-3-carboxylate

CAS: 935687-49-3

Formula: C13H12N2O2

SMILES: NC1=CC=C(C=N1)C(=O)OCC1=CC=CC=C1

IUPAC: benzyl 6-aminopyridine-3-carboxylate

InChI: InChI=1S/C13H12N2O2/c14-12-7-6-11(8-15-12)13(16)17-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,14,15)

Composition: C (68.41%), H (5.30%), N (12.27%), O (14.02%)

Molar Mass: 228.251

Atom Count: 29

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	228.089877634
Formal Charge	0
FSP3	0.08
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	WZFRFMFRNZBTPU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.55
Topological Polar Surface Area	65.21
Polarizability	24.58
Ring Count	2
Rotatable Bond Count	4

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