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methyl 3-amino-6-(trifluoromethyl)pyrazine-2-carboxylate

methyl 3-amino-6-(trifluoromethyl)pyrazine-2-carboxylate

CAS: 1744-13-4

Formula: C7H6F3N3O2

SMILES: COC(=O)C1=C(N)N=CC(=N1)C(F)(F)F

IUPAC: methyl 3-amino-6-(trifluoromethyl)pyrazine-2-carboxylate

InChI: InChI=1S/C7H6F3N3O2/c1-15-6(14)4-5(11)12-2-3(13-4)7(8,9)10/h2H,1H3,(H2,11,12)

Composition: C (38.02%), H (2.73%), F (25.77%), N (19.00%), O (14.47%)

Molar Mass: 221.139

Atom Count: 21

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 221.041210934
Formal Charge 0
FSP3 0.29
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey GACGJMLOCBRYAL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.01
Topological Polar Surface Area 78.1
Polarizability 15.71
Ring Count 1
Rotatable Bond Count 3

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