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methyl 3-amino-5-(trifluoromethyl)pyridine-2-carboxylate

methyl 3-amino-5-(trifluoromethyl)pyridine-2-carboxylate

CAS: 866775-17-9

Formula: C8H7F3N2O2

SMILES: COC(=O)C1=NC=C(C=C1N)C(F)(F)F

IUPAC: methyl 3-amino-5-(trifluoromethyl)pyridine-2-carboxylate

InChI: InChI=1S/C8H7F3N2O2/c1-15-7(14)6-5(12)2-4(3-13-6)8(9,10)11/h2-3H,12H2,1H3

Composition: C (43.65%), H (3.21%), F (25.89%), N (12.72%), O (14.53%)

Molar Mass: 220.151

Atom Count: 22

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 220.045961962
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey RPBPQAHDCODVNJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.23
Topological Polar Surface Area 65.21
Polarizability 16.45
Ring Count 1
Rotatable Bond Count 3

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97% <2 Days 866775-17-9 $179.40-$4,597.70$179.40$243.80$373.75$631.35$1,147.70$4,597.70
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