2-(3-chloropyridin-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxylic acid

2-(3-chloropyridin-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxylic acid

CAS: 438450-39-6

Formula: C10H5ClF3N3O2

SMILES: OC(=O)C1=CC(=NN1C1=NC=CC=C1Cl)C(F)(F)F

IUPAC: 1-(3-chloropyridin-2-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid

InChI: InChI=1S/C10H5ClF3N3O2/c11-5-2-1-3-15-8(5)17-6(9(18)19)4-7(16-17)10(12,13)14/h1-4H,(H,18,19)

Composition: C (41.19%), H (1.73%), Cl (12.16%), F (19.54%), N (14.41%), O (10.97%)

Molar Mass: 291.61

Atom Count: 24

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	291.0022386
Formal Charge	0
FSP3	0.1
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	CCXJCKFHRYPKEP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.12
Topological Polar Surface Area	68.01
Polarizability	21.65
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
99.42%	<7 Days	438450-39-6		$84.15-$683.49$84.15$189.81$683.49