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6-methoxy-5-(trifluoromethyl)pyridine-3-carboxylic acid

6-methoxy-5-(trifluoromethyl)pyridine-3-carboxylic acid

CAS: 1211532-15-8

Formula: C8H6F3NO3

SMILES: COC1=NC=C(C=C1C(F)(F)F)C(O)=O

IUPAC: 6-methoxy-5-(trifluoromethyl)pyridine-3-carboxylic acid

InChI: InChI=1S/C8H6F3NO3/c1-15-6-5(8(9,10)11)2-4(3-12-6)7(13)14/h2-3H,1H3,(H,13,14)

Composition: C (43.45%), H (2.73%), F (25.77%), N (6.33%), O (21.70%)

Molar Mass: 221.135

Atom Count: 21

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 221.029977546
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey RFXPVNUCYNQFSJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 43.91
Topological Polar Surface Area 59.42
Polarizability 15.85
Ring Count 1
Rotatable Bond Count 3

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