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3-ethynyl-5-(trifluoromethyl)pyridin-2-amine

3-ethynyl-5-(trifluoromethyl)pyridin-2-amine

CAS: 1048914-02-8

Formula: C8H5F3N2

SMILES: NC1=NC=C(C=C1C#C)C(F)(F)F

IUPAC: 3-ethynyl-5-(trifluoromethyl)pyridin-2-amine

InChI: InChI=1S/C8H5F3N2/c1-2-5-3-6(8(9,10)11)4-13-7(5)12/h1,3-4H,(H2,12,13)

Composition: C (51.62%), H (2.71%), F (30.62%), N (15.05%)

Molar Mass: 186.137

Atom Count: 18

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 186.040482658
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey AOXNOOYKQDKKFU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 40.06
Topological Polar Surface Area 38.91
Polarizability 14.4
Ring Count 1
Rotatable Bond Count 1

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95% <2 Days 1048914-02-8 $51.35-$449.02$51.35$63.37$86.31$292.79$449.02
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