4-(naphthalen-1-yl)-6-(trifluoromethyl)pyrimidine-2-carboxylic acid

4-(naphthalen-1-yl)-6-(trifluoromethyl)pyrimidine-2-carboxylic acid

Formula: C16H9F3N2O2

SMILES: OC(=O)C1=NC(=CC(=N1)C1=C2C=CC=CC2=CC=C1)C(F)(F)F

IUPAC: 4-(naphthalen-1-yl)-6-(trifluoromethyl)pyrimidine-2-carboxylic acid

InChI: InChI=1S/C16H9F3N2O2/c17-16(18,19)13-8-12(20-14(21-13)15(22)23)11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,(H,22,23)

Composition: C (60.38%), H (2.85%), F (17.91%), N (8.80%), O (10.05%)

Molar Mass: 318.255

Atom Count: 32

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	318.061612027
Formal Charge	0
FSP3	0.06
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	WJJJYXMHIIXHDI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	76.46
Topological Polar Surface Area	63.08
Polarizability	30.3
Ring Count	3
Rotatable Bond Count	3

Suppliers

Kinentia Biosciences LLC

Supplier Profile

Purity	LeadTime	Formula	PacketSize	UnitPrice
95%	<14 Days	C16H9F3N2O2		$1,168.02$1,168.02