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3-chloro-2-ethynyl-5-(trifluoromethyl)pyridine

3-chloro-2-ethynyl-5-(trifluoromethyl)pyridine

CAS: 1135283-18-9

Formula: C8H3ClF3N

SMILES: FC(F)(F)C1=CC(Cl)=C(N=C1)C#C

IUPAC: 3-chloro-2-ethynyl-5-(trifluoromethyl)pyridine

InChI: InChI=1S/C8H3ClF3N/c1-2-7-6(9)3-5(4-13-7)8(10,11)12/h1,3-4H

Composition: C (46.74%), H (1.47%), Cl (17.25%), F (27.73%), N (6.81%)

Molar Mass: 205.56

Atom Count: 16

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 204.9906113
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey MGBAONQLGHVNRS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 39.48
Topological Polar Surface Area 12.89
Polarizability 15.25
Ring Count 1
Rotatable Bond Count 1

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