Free Chemical Databases
-
[Synonyms]
NSC37818
39658-41-8
[Structure]
[ Properties Computed from Structure]
Molecular Weight 166.1772 [g/mol] Molecular Formula C8H10N2O2 XLogP 1 H-Bond Donor 1 H-Bond Acceptor 4 Rotatable Bond Count 3 Tautomer Count 3 Exact Mass 166.074228 MonoIsotopic Mass 166.074228 Topological Polar Surface Area 65.2 Heavy Atom Count 12 Formal Charge 0 Complexity 161 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: ethyl 6-aminopyridine-3-carboxylate
Canonical SMILES: CCOC(=O)C1=CN=C(C=C1)N
InChI: InChI=1/C8H10N2O2/c1-2-12-8(11)6-3-4-7(9)10-5-6/h3-5H,2H2,1H3,(H2,9,
10)/f/h9H2
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