(5-methoxycarbonylfuran-2-yl)methyl 2-ethoxypyridine-3-carboxylate

C15H15NO6 — CID 2103679

IUPAC(5-methoxycarbonylfuran-2-yl)methyl 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCc1ccc(C(=O)OC)o1
InChIInChI=1S/C15H15NO6/c1-3-20-13-11(5-4-8-16-13)14(17)21-9-10-6-7-12(22-10)15(18)19-2/h4-8H,3,9H2,1-2H3
InChIKeyPGXHAGSSHCOIPG-UHFFFAOYSA-N
MW305.29 g/mol
LogP2.22
Rot. Bonds6

About (5-methoxycarbonylfuran-2-yl)methyl 2-ethoxypyridine-3-carboxylate

(5-methoxycarbonylfuran-2-yl)methyl 2-ethoxypyridine-3-carboxylate (PubChem CID 2103679) has the molecular formula C15H15NO6 and a molecular weight of 305.29 g/mol. Its IUPAC name is (5-methoxycarbonylfuran-2-yl)methyl 2-ethoxypyridine-3-carboxylate.

Molecular Properties

Compound Name(5-methoxycarbonylfuran-2-yl)methyl 2-ethoxypyridine-3-carboxylate
PubChem CID2103679
Molecular FormulaC15H15NO6
Molecular Weight305.29 g/mol
Exact Mass305.09
IUPAC Name(5-methoxycarbonylfuran-2-yl)methyl 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCc1ccc(C(=O)OC)o1
InChIInChI=1S/C15H15NO6/c1-3-20-13-11(5-4-8-16-13)14(17)21-9-10-6-7-12(22-10)15(18)19-2/h4-8H,3,9H2,1-2H3
InChIKeyPGXHAGSSHCOIPG-UHFFFAOYSA-N
XLogP2.22
TPSA87.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-Pyridinecarboxylic acid, 2-phenoxy-, methyl ester
CID 215890
5-(Pyridin-3-yl)furan-2-carbaldehyde
CID 12215260
[2-(3,4-Dimethoxyphenyl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2106027
2-Furylmethyl nicotinate
CID 4297039
2-Ethoxypyridine-3-carboxylic acid
CID 2736345
3-Pyridinecarboxylic acid [2-(2-furanyl)-4-oxo-1-benzopyran-3-yl] ester
CID 1178958
(2-Oxo-2-thiophen-2-ylethyl) 2-ethoxypyridine-3-carboxylate
CID 2336418
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-ethoxypyridine-3-carboxylate
CID 2553080
[2-(4-Fluorophenyl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 3526515
Phenacyl 2-ethoxypyridine-3-carboxylate
CID 2346574
6-(2-Methoxyethoxy)pyridine-3-carboxylic acid
CID 15067093
[2-(2,5-Dimethoxyphenyl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2429930

Frequently Asked Questions

What is the IUPAC name of (5-methoxycarbonylfuran-2-yl)methyl 2-ethoxypyridine-3-carboxylate?
The IUPAC name of (5-methoxycarbonylfuran-2-yl)methyl 2-ethoxypyridine-3-carboxylate (CID 2103679) is (5-methoxycarbonylfuran-2-yl)methyl 2-ethoxypyridine-3-carboxylate.
What is the SMILES notation for (5-methoxycarbonylfuran-2-yl)methyl 2-ethoxypyridine-3-carboxylate?
The canonical SMILES for (5-methoxycarbonylfuran-2-yl)methyl 2-ethoxypyridine-3-carboxylate is CCOc1ncccc1C(=O)OCc1ccc(C(=O)OC)o1.
What is the InChIKey of (5-methoxycarbonylfuran-2-yl)methyl 2-ethoxypyridine-3-carboxylate?
The InChIKey is PGXHAGSSHCOIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO6/c1-3-20-13-11(5-4-8-16-13)14(17)21-9-10-6-7-12(22-10)15(18)19-2/h4-8H,3,9H2,1-2H3.
What are the key properties of (5-methoxycarbonylfuran-2-yl)methyl 2-ethoxypyridine-3-carboxylate?
(5-methoxycarbonylfuran-2-yl)methyl 2-ethoxypyridine-3-carboxylate has a molecular weight of 305.29 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxycarbonylfuran-2-yl)methyl 2-ethoxypyridine-3-carboxylate is sourced from PubChem (CID 2103679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).