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5-chloro-6-(trifluoromethyl)pyridine-2-carboxylic acid

5-chloro-6-(trifluoromethyl)pyridine-2-carboxylic acid

CAS: 749875-06-7

Formula: C7H3ClF3NO2

SMILES: OC(=O)C1=CC=C(Cl)C(=N1)C(F)(F)F

IUPAC: 5-chloro-6-(trifluoromethyl)pyridine-2-carboxylic acid

InChI: InChI=1S/C7H3ClF3NO2/c8-3-1-2-4(6(13)14)12-5(3)7(9,10)11/h1-2H,(H,13,14)

Composition: C (37.28%), H (1.34%), Cl (15.72%), F (25.27%), N (6.21%), O (14.19%)

Molar Mass: 225.55

Atom Count: 17

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 224.9804405
Formal Charge 0
FSP3 0.14
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey PXYUUSBDIWLVFL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 41.19
Topological Polar Surface Area 50.19
Polarizability 15.34
Ring Count 1
Rotatable Bond Count 2

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96% <2 Days 749875-06-7 $179.40-$4,597.70$179.40$243.80$373.75$631.35$1,147.70$4,597.70
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