ethyl 6-(4-octoxyphenyl)pyridine-2-carboxylate;ethyl 6-phenylpyridine-2-carboxylate;methyl 4-methoxy-6-[4-(methoxymethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(dimethylcarbamoyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-(4-propylphenyl)pyridine-2-carboxylate;propan-2-yl 6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate

C137H144F9N9O22 — CID 167657602

About ethyl 6-(4-octoxyphenyl)pyridine-2-carboxylate;ethyl 6-phenylpyridine-2-carboxylate;methyl 4-methoxy-6-[4-(methoxymethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(dimethylcarbamoyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-(4-propylphenyl)pyridine-2-carboxylate;propan-2-yl 6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate

ethyl 6-(4-octoxyphenyl)pyridine-2-carboxylate;ethyl 6-phenylpyridine-2-carboxylate;methyl 4-methoxy-6-[4-(methoxymethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(dimethylcarbamoyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-(4-propylphenyl)pyridine-2-carboxylate;propan-2-yl 6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate (PubChem CID 167657602) has the molecular formula C137H144F9N9O22 and a molecular weight of 2439.68 g/mol. Its IUPAC name is ethyl 6-(4-octoxyphenyl)pyridine-2-carboxylate;ethyl 6-phenylpyridine-2-carboxylate;methyl 4-methoxy-6-[4-(methoxymethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(dimethylcarbamoyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-(4-propylphenyl)pyridine-2-carboxylate;propan-2-yl 6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate.

Molecular Properties

• Compound Name: ethyl 6-(4-octoxyphenyl)pyridine-2-carboxylate;ethyl 6-phenylpyridine-2-carboxylate;methyl 4-methoxy-6-[4-(methoxymethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(dimethylcarbamoyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-(4-propylphenyl)pyridine-2-carboxylate;propan-2-yl 6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
• PubChem CID: 167657602
• Molecular Formula: C137H144F9N9O22
• Molecular Weight: 2439.68 g/mol
• Exact Mass: 2438.03
• IUPAC Name: ethyl 6-(4-octoxyphenyl)pyridine-2-carboxylate;ethyl 6-phenylpyridine-2-carboxylate;methyl 4-methoxy-6-[4-(methoxymethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(dimethylcarbamoyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-(4-propylphenyl)pyridine-2-carboxylate;propan-2-yl 6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
• SMILES: CC(C)OC(=O)c1cccc(-c2ccc(C(=O)N(C)C)cc2)n1.CC(C)OC(=O)c1cccc(-c2ccc(C(F)(F)F)cc2)n1.CC(C)OC(=O)c1cccc(-c2ccc(OC(F)(F)F)cc2)n1.CC(C)OC(=O)c1cccc(-c2ccc(OCC(F)(F)F)cc2)n1.CCCCCCCCOc1ccc(-c2cccc(C(=O)OCC)n2)cc1.CCCc1ccc(-c2cccc(C(=O)OC(C)C)n2)cc1.CCOC(=O)c1cccc(-c2ccccc2)n1.COCc1ccc(-c2cc(OC)cc(C(=O)OC)n2)cc1
• InChI: InChI=1S/C22H29NO3.C18H20N2O3.C18H21NO2.C17H16F3NO3.C16H14F3NO3.C16H14F3NO2.C16H17NO4.C14H13NO2/c1-3-5-6-7-8-9-17-26-19-15-13-18(14-16-19)20-11-10-12-21(23-20)22(24)25-4-2;1-12(2)23-18(22)16-7-5-6-15(19-16)13-8-10-14(11-9-13)17(21)20(3)4;1-4-6-14-9-11-15(12-10-14)16-7-5-8-17(19-16)18(20)21-13(2)3;1-11(2)24-16(22)15-5-3-4-14(21-15)12-6-8-13(9-7-12)23-10-17(18,19)20;1-10(2)22-15(21)14-5-3-4-13(20-14)11-6-8-12(9-7-11)23-16(17,18)19;1-10(2)22-15(21)14-5-3-4-13(20-14)11-6-8-12(9-7-11)16(17,18)19;1-19-10-11-4-6-12(7-5-11)14-8-13(20-2)9-15(17-14)16(18)21-3;1-2-17-14(16)13-10-6-9-12(15-13)11-7-4-3-5-8-11/h10-16H,3-9,17H2,1-2H3;5-12H,1-4H3;5,7-13H,4,6H2,1-3H3;3-9,11H,10H2,1-2H3;3-10H,1-2H3;3-10H,1-2H3;4-9H,10H2,1-3H3;3-10H,2H2,1H3
• InChIKey: RMINKPGAXOMRNU-UHFFFAOYSA-N
• XLogP: 31.36
• TPSA: 379.98 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 40
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2439.68
LogP ≤ 5	31.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

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-octoxyphenyl)pyridine-2-carboxylate;ethyl 6-phenylpyridine-2-carboxylate;methyl 4-methoxy-6-[4-(methoxymethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(dimethylcarbamoyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-(4-propylphenyl)pyridine-2-carboxylate;propan-2-yl 6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate?

The IUPAC name of ethyl 6-(4-octoxyphenyl)pyridine-2-carboxylate;ethyl 6-phenylpyridine-2-carboxylate;methyl 4-methoxy-6-[4-(methoxymethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(dimethylcarbamoyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-(4-propylphenyl)pyridine-2-carboxylate;propan-2-yl 6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate (CID 167657602) is ethyl 6-(4-octoxyphenyl)pyridine-2-carboxylate;ethyl 6-phenylpyridine-2-carboxylate;methyl 4-methoxy-6-[4-(methoxymethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(dimethylcarbamoyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-(4-propylphenyl)pyridine-2-carboxylate;propan-2-yl 6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate.

What is the SMILES notation for ethyl 6-(4-octoxyphenyl)pyridine-2-carboxylate;ethyl 6-phenylpyridine-2-carboxylate;methyl 4-methoxy-6-[4-(methoxymethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(dimethylcarbamoyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-(4-propylphenyl)pyridine-2-carboxylate;propan-2-yl 6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate?

The canonical SMILES for ethyl 6-(4-octoxyphenyl)pyridine-2-carboxylate;ethyl 6-phenylpyridine-2-carboxylate;methyl 4-methoxy-6-[4-(methoxymethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(dimethylcarbamoyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-(4-propylphenyl)pyridine-2-carboxylate;propan-2-yl 6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate is CC(C)OC(=O)c1cccc(-c2ccc(C(=O)N(C)C)cc2)n1.CC(C)OC(=O)c1cccc(-c2ccc(C(F)(F)F)cc2)n1.CC(C)OC(=O)c1cccc(-c2ccc(OC(F)(F)F)cc2)n1.CC(C)OC(=O)c1cccc(-c2ccc(OCC(F)(F)F)cc2)n1.CCCCCCCCOc1ccc(-c2cccc(C(=O)OCC)n2)cc1.CCCc1ccc(-c2cccc(C(=O)OC(C)C)n2)cc1.CCOC(=O)c1cccc(-c2ccccc2)n1.COCc1ccc(-c2cc(OC)cc(C(=O)OC)n2)cc1.

What is the InChIKey of ethyl 6-(4-octoxyphenyl)pyridine-2-carboxylate;ethyl 6-phenylpyridine-2-carboxylate;methyl 4-methoxy-6-[4-(methoxymethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(dimethylcarbamoyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-(4-propylphenyl)pyridine-2-carboxylate;propan-2-yl 6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate?

The InChIKey is RMINKPGAXOMRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3.C18H20N2O3.C18H21NO2.C17H16F3NO3.C16H14F3NO3.C16H14F3NO2.C16H17NO4.C14H13NO2/c1-3-5-6-7-8-9-17-26-19-15-13-18(14-16-19)20-11-10-12-21(23-20)22(24)25-4-2;1-12(2)23-18(22)16-7-5-6-15(19-16)13-8-10-14(11-9-13)17(21)20(3)4;1-4-6-14-9-11-15(12-10-14)16-7-5-8-17(19-16)18(20)21-13(2)3;1-11(2)24-16(22)15-5-3-4-14(21-15)12-6-8-13(9-7-12)23-10-17(18,19)20;1-10(2)22-15(21)14-5-3-4-13(20-14)11-6-8-12(9-7-11)23-16(17,18)19;1-10(2)22-15(21)14-5-3-4-13(20-14)11-6-8-12(9-7-11)16(17,18)19;1-19-10-11-4-6-12(7-5-11)14-8-13(20-2)9-15(17-14)16(18)21-3;1-2-17-14(16)13-10-6-9-12(15-13)11-7-4-3-5-8-11/h10-16H,3-9,17H2,1-2H3;5-12H,1-4H3;5,7-13H,4,6H2,1-3H3;3-9,11H,10H2,1-2H3;3-10H,1-2H3;3-10H,1-2H3;4-9H,10H2,1-3H3;3-10H,2H2,1H3.

What are the key properties of ethyl 6-(4-octoxyphenyl)pyridine-2-carboxylate;ethyl 6-phenylpyridine-2-carboxylate;methyl 4-methoxy-6-[4-(methoxymethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(dimethylcarbamoyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-(4-propylphenyl)pyridine-2-carboxylate;propan-2-yl 6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate?

ethyl 6-(4-octoxyphenyl)pyridine-2-carboxylate;ethyl 6-phenylpyridine-2-carboxylate;methyl 4-methoxy-6-[4-(methoxymethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(dimethylcarbamoyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-(4-propylphenyl)pyridine-2-carboxylate;propan-2-yl 6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate has a molecular weight of 2439.68 g/mol, XLogP of 31.36, 40 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 6-(4-octoxyphenyl)pyridine-2-carboxylate;ethyl 6-phenylpyridine-2-carboxylate;methyl 4-methoxy-6-[4-(methoxymethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(dimethylcarbamoyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-(4-propylphenyl)pyridine-2-carboxylate;propan-2-yl 6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate is sourced from PubChem (CID 167657602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).