3-chloro-2-(3-nitrobenzoyl)-5-(trifluoromethyl)pyridine

3-chloro-2-(3-nitrobenzoyl)-5-(trifluoromethyl)pyridine

CAS: 339106-56-8

Formula: C13H6ClF3N2O3

SMILES: [O-][N+](=O)C1=CC=CC(=C1)C(=O)C1=C(Cl)C=C(C=N1)C(F)(F)F

IUPAC: 3-chloro-2-(3-nitrobenzoyl)-5-(trifluoromethyl)pyridine

InChI: InChI=1S/C13H6ClF3N2O3/c14-10-5-8(13(15,16)17)6-18-11(10)12(20)7-2-1-3-9(4-7)19(21)22/h1-6H

Composition: C (47.22%), H (1.83%), Cl (10.72%), F (17.24%), N (8.47%), O (14.52%)

Molar Mass: 330.65

Atom Count: 28

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	330.0019043
Formal Charge	0
FSP3	0.08
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	ARGBVJFYTMNKHT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	71.2
Topological Polar Surface Area	73.1
Polarizability	26.25
Ring Count	2
Rotatable Bond Count	4

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