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 | |
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Formal Charge | 0 |
Atom Count | 30 |
Chiral Atom Count | 0 |
Bond Count | 32 |
Aromatic Bond Count | 11 |
Chemical Component Summary | |
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Name | methyl 5-(4-oxidanylidene-5~{H}-furo[3,2-c]pyridin-2-yl)pyridine-3-carboxylate |
Synonyms | methyl 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 |
Formula | C14 H10 N2 O4 |
Molecular Weight | 270.24 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | COC(=O)c1cncc(c1)c2oc3C=CNC(=O)c3c2 |
SMILES | OpenEye OEToolkits | 2.0.4 | COC(=O)c1cc(cnc1)c2cc3c(o2)C=CNC3=O |
Canonical SMILES | CACTVS | 3.385 | COC(=O)c1cncc(c1)c2oc3C=CNC(=O)c3c2 |
Canonical SMILES | OpenEye OEToolkits | 2.0.4 | COC(=O)c1cc(cnc1)c2cc3c(o2)C=CNC3=O |
InChI | InChI | 1.03 | 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) |
InChIKey | InChI | 1.03 | CKTWBGKZILYBCF-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 124219452 |