methyl 2-[(E)-2-(furan-2-yl)ethenyl]-4,6-dimethoxypyridine-3-carboxylate

C15H15NO5 — CID 141364415

IUPACmethyl 2-[(E)-2-(furan-2-yl)ethenyl]-4,6-dimethoxypyridine-3-carboxylate
SMILESCOC(=O)c1c(OC)cc(OC)nc1/C=C/c1ccco1
InChIInChI=1S/C15H15NO5/c1-18-12-9-13(19-2)16-11(14(12)15(17)20-3)7-6-10-5-4-8-21-10/h4-9H,1-3H3/b7-6+
InChIKeyOIJSPVUYHLTTHR-VOTSOKGWSA-N
MW289.29 g/mol
LogP2.65
Rot. Bonds5

About methyl 2-[(E)-2-(furan-2-yl)ethenyl]-4,6-dimethoxypyridine-3-carboxylate

methyl 2-[(E)-2-(furan-2-yl)ethenyl]-4,6-dimethoxypyridine-3-carboxylate (PubChem CID 141364415) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is methyl 2-[(E)-2-(furan-2-yl)ethenyl]-4,6-dimethoxypyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(E)-2-(furan-2-yl)ethenyl]-4,6-dimethoxypyridine-3-carboxylate
PubChem CID141364415
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Namemethyl 2-[(E)-2-(furan-2-yl)ethenyl]-4,6-dimethoxypyridine-3-carboxylate
SMILESCOC(=O)c1c(OC)cc(OC)nc1/C=C/c1ccco1
InChIInChI=1S/C15H15NO5/c1-18-12-9-13(19-2)16-11(14(12)15(17)20-3)7-6-10-5-4-8-21-10/h4-9H,1-3H3/b7-6+
InChIKeyOIJSPVUYHLTTHR-VOTSOKGWSA-N
XLogP2.65
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(E)-2-(furan-2-yl)ethenyl]-4,6-dimethoxypyridine-3-carboxylate?
The IUPAC name of methyl 2-[(E)-2-(furan-2-yl)ethenyl]-4,6-dimethoxypyridine-3-carboxylate (CID 141364415) is methyl 2-[(E)-2-(furan-2-yl)ethenyl]-4,6-dimethoxypyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[(E)-2-(furan-2-yl)ethenyl]-4,6-dimethoxypyridine-3-carboxylate?
The canonical SMILES for methyl 2-[(E)-2-(furan-2-yl)ethenyl]-4,6-dimethoxypyridine-3-carboxylate is COC(=O)c1c(OC)cc(OC)nc1/C=C/c1ccco1.
What is the InChIKey of methyl 2-[(E)-2-(furan-2-yl)ethenyl]-4,6-dimethoxypyridine-3-carboxylate?
The InChIKey is OIJSPVUYHLTTHR-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H15NO5/c1-18-12-9-13(19-2)16-11(14(12)15(17)20-3)7-6-10-5-4-8-21-10/h4-9H,1-3H3/b7-6+.
What are the key properties of methyl 2-[(E)-2-(furan-2-yl)ethenyl]-4,6-dimethoxypyridine-3-carboxylate?
methyl 2-[(E)-2-(furan-2-yl)ethenyl]-4,6-dimethoxypyridine-3-carboxylate has a molecular weight of 289.29 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(E)-2-(furan-2-yl)ethenyl]-4,6-dimethoxypyridine-3-carboxylate is sourced from PubChem (CID 141364415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).