N-(5-nitropyridin-2-yl)-2H-1,3-benzodioxole-5-carboxamide

N-(5-nitropyridin-2-yl)-2H-1,3-benzodioxole-5-carboxamide

Formula: C13H9N3O5

SMILES: [O-][N+](=O)C1=CC=C(NC(=O)C2=CC=C3OCOC3=C2)N=C1

IUPAC: N-(5-nitropyridin-2-yl)-2H-1,3-benzodioxole-5-carboxamide

InChI: InChI=1S/C13H9N3O5/c17-13(8-1-3-10-11(5-8)21-7-20-10)15-12-4-2-9(6-14-12)16(18)19/h1-6H,7H2,(H,14,15,17)

Composition: C (54.36%), H (3.16%), N (14.63%), O (27.85%)

Molar Mass: 287.231

Atom Count: 30

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	287.054220402
Formal Charge	0
FSP3	0.08
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	XDNXEOGLZNIQLH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	71.84
Topological Polar Surface Area	103.59
Polarizability	26.51
Ring Count	3
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C13H9N3O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00