4-{[4-(pyridin-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]amino}benzoic acid

4-{[4-(pyridin-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]amino}benzoic acid

Formula: C17H11F3N4O2

SMILES: OC(=O)C1=CC=C(NC2=NC(=CC(=N2)C(F)(F)F)C2=CC=CN=C2)C=C1

IUPAC: 4-{[4-(pyridin-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]amino}benzoic acid

InChI: InChI=1S/C17H11F3N4O2/c18-17(19,20)14-8-13(11-2-1-7-21-9-11)23-16(24-14)22-12-5-3-10(4-6-12)15(25)26/h1-9H,(H,25,26)(H,22,23,24)

Composition: C (56.67%), H (3.08%), F (15.82%), N (15.55%), O (8.88%)

Molar Mass: 360.296

Atom Count: 37

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	360.083410099
Formal Charge	0
FSP3	0.06
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	YKZKFXDTCCDVFZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	86.62
Topological Polar Surface Area	88
Polarizability	32.73
Ring Count	3
Rotatable Bond Count	5

Suppliers

Kinentia Biosciences LLC

Supplier Profile

Purity	LeadTime	Formula	PacketSize	UnitPrice
95%	<14 Days	C17H11F3N4O2		$731.43$731.43