4-{2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethenyl}pyrimidin-2-amine

4-{2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethenyl}pyrimidin-2-amine

CAS: 303997-62-8

Formula: C12H8ClF3N4

SMILES: NC1=NC=CC(C=CC2=C(Cl)C=C(C=N2)C(F)(F)F)=N1

IUPAC: 4-{2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethenyl}pyrimidin-2-amine

InChI: InChI=1S/C12H8ClF3N4/c13-9-5-7(12(14,15)16)6-19-10(9)2-1-8-3-4-18-11(17)20-8/h1-6H,(H2,17,18,20)

Composition: C (47.94%), H (2.68%), Cl (11.79%), F (18.96%), N (18.63%)

Molar Mass: 300.67

Atom Count: 28

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	300.0389585
Formal Charge	0
FSP3	0.08
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	OTAPCPYCAYGAFW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	70.55
Topological Polar Surface Area	64.69
Polarizability	24.95
Ring Count	2
Rotatable Bond Count	3

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