6FX

methyl 5-(4-oxidanylidene-5~{H}-furo[3,2-c]pyridin-2-yl)pyridine-3-carboxylate

Created:2016-05-11
Last modified:  2021-03-13

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Chemical Details

Formal Charge0
Atom Count30
Chiral Atom Count0
Bond Count32
Aromatic Bond Count11
2D diagram of 6FX

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Chemical Component Summary

Namemethyl 5-(4-oxidanylidene-5~{H}-furo[3,2-c]pyridin-2-yl)pyridine-3-carboxylate
Synonymsmethyl 5-(4-oxo-4,5-dihydrofuro[3,2-c]pyridin-2-yl)nicotinate
Systematic Name (OpenEye OEToolkits)methyl 5-(4-oxidanylidene-5~{H}-furo[3,2-c]pyridin-2-yl)pyridine-3-carboxylate
FormulaC14 H10 N2 O4
Molecular Weight270.24
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385COC(=O)c1cncc(c1)c2oc3C=CNC(=O)c3c2
SMILESOpenEye OEToolkits2.0.4COC(=O)c1cc(cnc1)c2cc3c(o2)C=CNC3=O
Canonical SMILESCACTVS3.385 COC(=O)c1cncc(c1)c2oc3C=CNC(=O)c3c2
Canonical SMILESOpenEye OEToolkits2.0.4 COC(=O)c1cc(cnc1)c2cc3c(o2)C=CNC3=O
InChIInChI1.03 InChI=1S/C14H10N2O4/c1-19-14(18)9-4-8(6-15-7-9)12-5-10-11(20-12)2-3-16-13(10)17/h2-7H,1H3,(H,16,17)
InChIKeyInChI1.03 CKTWBGKZILYBCF-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 124219452