3-[(3-nitropyridin-2-yl)amino]propanenitrile

3-[(3-nitropyridin-2-yl)amino]propanenitrile

CAS: 223377-06-8

Formula: C8H8N4O2

SMILES: [O-][N+](=O)C1=C(NCCC#N)N=CC=C1

IUPAC: 3-[(3-nitropyridin-2-yl)amino]propanenitrile

InChI: InChI=1S/C8H8N4O2/c9-4-2-6-11-8-7(12(13)14)3-1-5-10-8/h1,3,5H,2,6H2,(H,10,11)

Composition: C (50.00%), H (4.20%), N (29.15%), O (16.65%)

Molar Mass: 192.178

Atom Count: 22

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	192.064725514
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	KMGWUGWAZWGZOL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.49
Topological Polar Surface Area	91.85
Polarizability	17.89
Ring Count	1
Rotatable Bond Count	4

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95%	<4 Days	223377-06-8		$58.65-$576.15$58.65$186.30$576.15