3-chloro-2-methoxy-5-(trifluoromethyl)pyridine-4-carboxylic acid

3-chloro-2-methoxy-5-(trifluoromethyl)pyridine-4-carboxylic acid

CAS: 1221792-35-3

Formula: C8H5ClF3NO3

SMILES: COC1=C(Cl)C(C(O)=O)=C(C=N1)C(F)(F)F

IUPAC: 3-chloro-2-methoxy-5-(trifluoromethyl)pyridine-4-carboxylic acid

InChI: InChI=1S/C8H5ClF3NO3/c1-16-6-5(9)4(7(14)15)3(2-13-6)8(10,11)12/h2H,1H3,(H,14,15)

Composition: C (37.60%), H (1.97%), Cl (13.87%), F (22.30%), N (5.48%), O (18.78%)

Molar Mass: 255.58

Atom Count: 21

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	254.9910052
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	OSUAAIABKQEPMD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.71
Topological Polar Surface Area	59.42
Polarizability	17.91
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	1221792-35-3		$51.35-$598.69$51.35$63.37$86.31$374.73$598.69