2-nitropyridine-3-carboxamide

2-nitropyridine-3-carboxamide

CAS: 60780-22-5

Formula: C6H5N3O3

SMILES: NC(=O)C1=CC=CN=C1[N+]([O-])=O

IUPAC: 2-nitropyridine-3-carboxamide

InChI: InChI=1S/C6H5N3O3/c7-5(10)4-2-1-3-8-6(4)9(11)12/h1-3H,(H2,7,10)

Composition: C (43.12%), H (3.02%), N (25.14%), O (28.72%)

Molar Mass: 167.124

Atom Count: 17

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	167.033091033
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	VEEKACKGCOHXQC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	39.61
Topological Polar Surface Area	99.12
Polarizability	14.32
Ring Count	1
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	60780-22-5		$90.79-$242.11$90.79$242.11