1-(6-nitropyridin-3-yl)piperazine

1-(6-nitropyridin-3-yl)piperazine

CAS: 775288-71-6

Formula: C9H12N4O2

SMILES: [O-][N+](=O)C1=NC=C(C=C1)N1CCNCC1

IUPAC: 1-(6-nitropyridin-3-yl)piperazine

InChI: InChI=1S/C9H12N4O2/c14-13(15)9-2-1-8(7-11-9)12-5-3-10-4-6-12/h1-2,7,10H,3-6H2

Composition: C (51.92%), H (5.81%), N (26.91%), O (15.37%)

Molar Mass: 208.221

Atom Count: 27

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	208.096025642
Formal Charge	0
FSP3	0.44
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	UBCDLQPOKISIDX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.72
Topological Polar Surface Area	71.3
Polarizability	20.65
Ring Count	2
Rotatable Bond Count	2

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