5-methoxy-2-(pyridin-2-yl)-4-[3-(trifluoromethyl)phenoxy]pyrimidine

5-methoxy-2-(pyridin-2-yl)-4-[3-(trifluoromethyl)phenoxy]pyrimidine

CAS: 338771-15-6

Formula: C17H12F3N3O2

SMILES: COC1=CN=C(N=C1OC1=CC=CC(=C1)C(F)(F)F)C1=NC=CC=C1

IUPAC: 5-methoxy-2-(pyridin-2-yl)-4-[3-(trifluoromethyl)phenoxy]pyrimidine

InChI: InChI=1S/C17H12F3N3O2/c1-24-14-10-22-15(13-7-2-3-8-21-13)23-16(14)25-12-6-4-5-11(9-12)17(18,19)20/h2-10H,1H3

Composition: C (58.79%), H (3.48%), F (16.41%), N (12.10%), O (9.21%)

Molar Mass: 347.297

Atom Count: 37

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	347.088161127
Formal Charge	0
FSP3	0.12
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	QJSZZFDOHFELDJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	94.6
Topological Polar Surface Area	57.13
Polarizability	31.84
Ring Count	3
Rotatable Bond Count	5

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