ethyl 6-[4-(1-methoxyethyl)phenyl]pyridine-2-carboxylate;ethyl 6-[4-(2-methoxy-2-oxoethyl)phenyl]pyridine-2-carboxylate;ethyl 6-(4-naphthalen-1-ylphenyl)pyridine-2-carboxylate;ethyl 6-(4-octoxyphenyl)pyridine-2-carboxylate;ethyl 6-(4-pyridin-2-ylphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-propylphenyl)pyridine-2-carboxylate

C117H121N7O16 — CID 167550465

About ethyl 6-[4-(1-methoxyethyl)phenyl]pyridine-2-carboxylate;ethyl 6-[4-(2-methoxy-2-oxoethyl)phenyl]pyridine-2-carboxylate;ethyl 6-(4-naphthalen-1-ylphenyl)pyridine-2-carboxylate;ethyl 6-(4-octoxyphenyl)pyridine-2-carboxylate;ethyl 6-(4-pyridin-2-ylphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-propylphenyl)pyridine-2-carboxylate

ethyl 6-[4-(1-methoxyethyl)phenyl]pyridine-2-carboxylate;ethyl 6-[4-(2-methoxy-2-oxoethyl)phenyl]pyridine-2-carboxylate;ethyl 6-(4-naphthalen-1-ylphenyl)pyridine-2-carboxylate;ethyl 6-(4-octoxyphenyl)pyridine-2-carboxylate;ethyl 6-(4-pyridin-2-ylphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-propylphenyl)pyridine-2-carboxylate (PubChem CID 167550465) has the molecular formula C117H121N7O16 and a molecular weight of 1881.29 g/mol. Its IUPAC name is ethyl 6-[4-(1-methoxyethyl)phenyl]pyridine-2-carboxylate;ethyl 6-[4-(2-methoxy-2-oxoethyl)phenyl]pyridine-2-carboxylate;ethyl 6-(4-naphthalen-1-ylphenyl)pyridine-2-carboxylate;ethyl 6-(4-octoxyphenyl)pyridine-2-carboxylate;ethyl 6-(4-pyridin-2-ylphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-propylphenyl)pyridine-2-carboxylate.

Molecular Properties

• Compound Name: ethyl 6-[4-(1-methoxyethyl)phenyl]pyridine-2-carboxylate;ethyl 6-[4-(2-methoxy-2-oxoethyl)phenyl]pyridine-2-carboxylate;ethyl 6-(4-naphthalen-1-ylphenyl)pyridine-2-carboxylate;ethyl 6-(4-octoxyphenyl)pyridine-2-carboxylate;ethyl 6-(4-pyridin-2-ylphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-propylphenyl)pyridine-2-carboxylate
• PubChem CID: 167550465
• Molecular Formula: C117H121N7O16
• Molecular Weight: 1881.29 g/mol
• Exact Mass: 1879.89
• IUPAC Name: ethyl 6-[4-(1-methoxyethyl)phenyl]pyridine-2-carboxylate;ethyl 6-[4-(2-methoxy-2-oxoethyl)phenyl]pyridine-2-carboxylate;ethyl 6-(4-naphthalen-1-ylphenyl)pyridine-2-carboxylate;ethyl 6-(4-octoxyphenyl)pyridine-2-carboxylate;ethyl 6-(4-pyridin-2-ylphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-propylphenyl)pyridine-2-carboxylate
• SMILES: CCCCCCCCOc1ccc(-c2cccc(C(=O)OCC)n2)cc1.CCCc1ccc(-c2cccc(C(=O)OC(C)C)n2)cc1.CCOC(=O)c1cccc(-c2ccc(-c3cccc4ccccc34)cc2)n1.CCOC(=O)c1cccc(-c2ccc(-c3ccccn3)cc2)n1.CCOC(=O)c1cccc(-c2ccc(C(C)OC)cc2)n1.CCOC(=O)c1cccc(-c2ccc(CC(=O)OC)cc2)n1
• InChI: InChI=1S/C24H19NO2.C22H29NO3.C19H16N2O2.C18H21NO2.C17H17NO4.C17H19NO3/c1-2-27-24(26)23-12-6-11-22(25-23)19-15-13-18(14-16-19)21-10-5-8-17-7-3-4-9-20(17)21;1-3-5-6-7-8-9-17-26-19-15-13-18(14-16-19)20-11-10-12-21(23-20)22(24)25-4-2;1-2-23-19(22)18-8-5-7-17(21-18)15-11-9-14(10-12-15)16-6-3-4-13-20-16;1-4-6-14-9-11-15(12-10-14)16-7-5-8-17(19-16)18(20)21-13(2)3;1-3-22-17(20)15-6-4-5-14(18-15)13-9-7-12(8-10-13)11-16(19)21-2;1-4-21-17(19)16-7-5-6-15(18-16)14-10-8-13(9-11-14)12(2)20-3/h3-16H,2H2,1H3;10-16H,3-9,17H2,1-2H3;3-13H,2H2,1H3;5,7-13H,4,6H2,1-3H3;4-10H,3,11H2,1-2H3;5-12H,4H2,1-3H3
• InChIKey: CIKBGZRTOQIMHK-UHFFFAOYSA-N
• XLogP: 25.94
• TPSA: 292.79 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 34
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1881.29
LogP ≤ 5	25.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[4-(1-methoxyethyl)phenyl]pyridine-2-carboxylate;ethyl 6-[4-(2-methoxy-2-oxoethyl)phenyl]pyridine-2-carboxylate;ethyl 6-(4-naphthalen-1-ylphenyl)pyridine-2-carboxylate;ethyl 6-(4-octoxyphenyl)pyridine-2-carboxylate;ethyl 6-(4-pyridin-2-ylphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-propylphenyl)pyridine-2-carboxylate?

The IUPAC name of ethyl 6-[4-(1-methoxyethyl)phenyl]pyridine-2-carboxylate;ethyl 6-[4-(2-methoxy-2-oxoethyl)phenyl]pyridine-2-carboxylate;ethyl 6-(4-naphthalen-1-ylphenyl)pyridine-2-carboxylate;ethyl 6-(4-octoxyphenyl)pyridine-2-carboxylate;ethyl 6-(4-pyridin-2-ylphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-propylphenyl)pyridine-2-carboxylate (CID 167550465) is ethyl 6-[4-(1-methoxyethyl)phenyl]pyridine-2-carboxylate;ethyl 6-[4-(2-methoxy-2-oxoethyl)phenyl]pyridine-2-carboxylate;ethyl 6-(4-naphthalen-1-ylphenyl)pyridine-2-carboxylate;ethyl 6-(4-octoxyphenyl)pyridine-2-carboxylate;ethyl 6-(4-pyridin-2-ylphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-propylphenyl)pyridine-2-carboxylate.

What is the SMILES notation for ethyl 6-[4-(1-methoxyethyl)phenyl]pyridine-2-carboxylate;ethyl 6-[4-(2-methoxy-2-oxoethyl)phenyl]pyridine-2-carboxylate;ethyl 6-(4-naphthalen-1-ylphenyl)pyridine-2-carboxylate;ethyl 6-(4-octoxyphenyl)pyridine-2-carboxylate;ethyl 6-(4-pyridin-2-ylphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-propylphenyl)pyridine-2-carboxylate?

The canonical SMILES for ethyl 6-[4-(1-methoxyethyl)phenyl]pyridine-2-carboxylate;ethyl 6-[4-(2-methoxy-2-oxoethyl)phenyl]pyridine-2-carboxylate;ethyl 6-(4-naphthalen-1-ylphenyl)pyridine-2-carboxylate;ethyl 6-(4-octoxyphenyl)pyridine-2-carboxylate;ethyl 6-(4-pyridin-2-ylphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-propylphenyl)pyridine-2-carboxylate is CCCCCCCCOc1ccc(-c2cccc(C(=O)OCC)n2)cc1.CCCc1ccc(-c2cccc(C(=O)OC(C)C)n2)cc1.CCOC(=O)c1cccc(-c2ccc(-c3cccc4ccccc34)cc2)n1.CCOC(=O)c1cccc(-c2ccc(-c3ccccn3)cc2)n1.CCOC(=O)c1cccc(-c2ccc(C(C)OC)cc2)n1.CCOC(=O)c1cccc(-c2ccc(CC(=O)OC)cc2)n1.

What is the InChIKey of ethyl 6-[4-(1-methoxyethyl)phenyl]pyridine-2-carboxylate;ethyl 6-[4-(2-methoxy-2-oxoethyl)phenyl]pyridine-2-carboxylate;ethyl 6-(4-naphthalen-1-ylphenyl)pyridine-2-carboxylate;ethyl 6-(4-octoxyphenyl)pyridine-2-carboxylate;ethyl 6-(4-pyridin-2-ylphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-propylphenyl)pyridine-2-carboxylate?

The InChIKey is CIKBGZRTOQIMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO2.C22H29NO3.C19H16N2O2.C18H21NO2.C17H17NO4.C17H19NO3/c1-2-27-24(26)23-12-6-11-22(25-23)19-15-13-18(14-16-19)21-10-5-8-17-7-3-4-9-20(17)21;1-3-5-6-7-8-9-17-26-19-15-13-18(14-16-19)20-11-10-12-21(23-20)22(24)25-4-2;1-2-23-19(22)18-8-5-7-17(21-18)15-11-9-14(10-12-15)16-6-3-4-13-20-16;1-4-6-14-9-11-15(12-10-14)16-7-5-8-17(19-16)18(20)21-13(2)3;1-3-22-17(20)15-6-4-5-14(18-15)13-9-7-12(8-10-13)11-16(19)21-2;1-4-21-17(19)16-7-5-6-15(18-16)14-10-8-13(9-11-14)12(2)20-3/h3-16H,2H2,1H3;10-16H,3-9,17H2,1-2H3;3-13H,2H2,1H3;5,7-13H,4,6H2,1-3H3;4-10H,3,11H2,1-2H3;5-12H,4H2,1-3H3.

What are the key properties of ethyl 6-[4-(1-methoxyethyl)phenyl]pyridine-2-carboxylate;ethyl 6-[4-(2-methoxy-2-oxoethyl)phenyl]pyridine-2-carboxylate;ethyl 6-(4-naphthalen-1-ylphenyl)pyridine-2-carboxylate;ethyl 6-(4-octoxyphenyl)pyridine-2-carboxylate;ethyl 6-(4-pyridin-2-ylphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-propylphenyl)pyridine-2-carboxylate?

ethyl 6-[4-(1-methoxyethyl)phenyl]pyridine-2-carboxylate;ethyl 6-[4-(2-methoxy-2-oxoethyl)phenyl]pyridine-2-carboxylate;ethyl 6-(4-naphthalen-1-ylphenyl)pyridine-2-carboxylate;ethyl 6-(4-octoxyphenyl)pyridine-2-carboxylate;ethyl 6-(4-pyridin-2-ylphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-propylphenyl)pyridine-2-carboxylate has a molecular weight of 1881.29 g/mol, XLogP of 25.94, 34 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 6-[4-(1-methoxyethyl)phenyl]pyridine-2-carboxylate;ethyl 6-[4-(2-methoxy-2-oxoethyl)phenyl]pyridine-2-carboxylate;ethyl 6-(4-naphthalen-1-ylphenyl)pyridine-2-carboxylate;ethyl 6-(4-octoxyphenyl)pyridine-2-carboxylate;ethyl 6-(4-pyridin-2-ylphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-propylphenyl)pyridine-2-carboxylate is sourced from PubChem (CID 167550465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).