4-[5-nitro-6-(pyrrolidin-1-yl)-4-(trifluoromethyl)pyridin-2-yl]morpholine

4-[5-nitro-6-(pyrrolidin-1-yl)-4-(trifluoromethyl)pyridin-2-yl]morpholine

CAS: 1431555-34-8

Formula: C14H17F3N4O3

SMILES: [O-][N+](=O)C1=C(C=C(N=C1N1CCCC1)N1CCOCC1)C(F)(F)F

IUPAC: 4-[5-nitro-6-(pyrrolidin-1-yl)-4-(trifluoromethyl)pyridin-2-yl]morpholine

InChI: InChI=1S/C14H17F3N4O3/c15-14(16,17)10-9-11(19-5-7-24-8-6-19)18-13(12(10)21(22)23)20-3-1-2-4-20/h9H,1-8H2

Composition: C (48.56%), H (4.95%), F (16.46%), N (16.18%), O (13.86%)

Molar Mass: 346.31

Atom Count: 41

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	346.125274912
Formal Charge	0
FSP3	0.64
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
InChIKey	CKIAHYHGDVPOEN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	82.29
Topological Polar Surface Area	71.74
Polarizability	28.94
Ring Count	3
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	1431555-34-8		$51.35-$86.31$51.35$63.37$86.31