1-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-3-cyanopropan-2-yl furan-2-carboxylate

1-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-3-cyanopropan-2-yl furan-2-carboxylate

CAS: 339016-45-4

Formula: C15H11ClF3N3O3

SMILES: FC(F)(F)C1=CC(Cl)=C(NCC(CC#N)OC(=O)C2=CC=CO2)N=C1

IUPAC: 1-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-3-cyanopropan-2-yl furan-2-carboxylate

InChI: InChI=1/C15H11ClF3N3O3/c16-11-6-9(15(17,18)19)7-21-13(11)22-8-10(3-4-20)25-14(23)12-2-1-5-24-12/h1-2,5-7,10H,3,8H2,(H,21,22)

Composition: C (48.21%), H (2.97%), Cl (9.49%), F (15.25%), N (11.24%), O (12.84%)

Molar Mass: 373.72

Atom Count: 36

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	373.0441034
Formal Charge	0
FSP3	0.27
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	GEQZFCBKMPMODE-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	83.13
Topological Polar Surface Area	88.15
Polarizability	30.19
Ring Count	2
Rotatable Bond Count	8

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Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	339016-45-4		$51.35-$524.40$51.35$63.37$86.31$524.40