3-[2-[7-(2-chlorophenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(2,3-dihydroindol-1-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-methoxy-5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-[2-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid

C137H134ClF4N7O17 — CID 158948058

About 3-[2-[7-(2-chlorophenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(2,3-dihydroindol-1-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-methoxy-5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-[2-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid

3-[2-[7-(2-chlorophenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(2,3-dihydroindol-1-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-methoxy-5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-[2-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid (PubChem CID 158948058) has the molecular formula C137H134ClF4N7O17 and a molecular weight of 2262.06 g/mol. Its IUPAC name is 3-[2-[7-(2-chlorophenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(2,3-dihydroindol-1-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-methoxy-5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-[2-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid.

Molecular Properties

• Compound Name: 3-[2-[7-(2-chlorophenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(2,3-dihydroindol-1-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-methoxy-5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-[2-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid
• PubChem CID: 158948058
• Molecular Formula: C137H134ClF4N7O17
• Molecular Weight: 2262.06 g/mol
• Exact Mass: 2259.95
• IUPAC Name: 3-[2-[7-(2-chlorophenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(2,3-dihydroindol-1-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-methoxy-5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-[2-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid
• SMILES: CCc1ccc2c(c1)CCCC2CCc1cnccc1C(=O)O.COc1ccc2c(c1C)CCCC2CCc1cnccc1C(=O)O.Cc1c(F)cccc1-c1ccc2c(c1)OCCC2CCc1cnccc1C(=O)O.O=C(O)c1ccncc1CCC1CCCc2cc(Oc3ccccc3C(F)(F)F)ccc21.O=C(O)c1ccncc1CCC1CCOc2cc(-c3ccccc3Cl)ccc21.O=C(O)c1ccncc1CCC1CCOc2cc(N3CCc4ccccc43)ccc21
• InChI: InChI=1S/C25H22F3NO3.C25H24N2O3.C24H22FNO3.C23H20ClNO3.C20H23NO3.C20H23NO2/c26-25(27,28)22-6-1-2-7-23(22)32-19-10-11-20-16(4-3-5-17(20)14-19)8-9-18-15-29-13-12-21(18)24(30)31;28-25(29)22-9-12-26-16-19(22)6-5-17-11-14-30-24-15-20(7-8-21(17)24)27-13-10-18-3-1-2-4-23(18)27;1-15-19(3-2-4-22(15)25)17-7-8-20-16(10-12-29-23(20)13-17)5-6-18-14-26-11-9-21(18)24(27)28;24-21-4-2-1-3-18(21)16-7-8-19-15(10-12-28-22(19)13-16)5-6-17-14-25-11-9-20(17)23(26)27;1-13-16-5-3-4-14(17(16)8-9-19(13)24-2)6-7-15-12-21-11-10-18(15)20(22)23;1-2-14-6-9-18-15(4-3-5-16(18)12-14)7-8-17-13-21-11-10-19(17)20(22)23/h1-2,6-7,10-16H,3-5,8-9H2,(H,30,31);1-4,7-9,12,15-17H,5-6,10-11,13-14H2,(H,28,29);2-4,7-9,11,13-14,16H,5-6,10,12H2,1H3,(H,27,28);1-4,7-9,11,13-15H,5-6,10,12H2,(H,26,27);8-12,14H,3-7H2,1-2H3,(H,22,23);6,9-13,15H,2-5,7-8H2,1H3,(H,22,23)
• InChIKey: JLBOUZVZZWDNKV-UHFFFAOYSA-N
• XLogP: 31.15
• TPSA: 350.53 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 31
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2262.06
LogP ≤ 5	31.15
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 3-[2-[7-(2-chlorophenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(2,3-dihydroindol-1-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-methoxy-5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-[2-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid?

The IUPAC name of 3-[2-[7-(2-chlorophenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(2,3-dihydroindol-1-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-methoxy-5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-[2-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid (CID 158948058) is 3-[2-[7-(2-chlorophenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(2,3-dihydroindol-1-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-methoxy-5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-[2-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid.

What is the SMILES notation for 3-[2-[7-(2-chlorophenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(2,3-dihydroindol-1-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-methoxy-5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-[2-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid?

The canonical SMILES for 3-[2-[7-(2-chlorophenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(2,3-dihydroindol-1-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-methoxy-5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-[2-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid is CCc1ccc2c(c1)CCCC2CCc1cnccc1C(=O)O.COc1ccc2c(c1C)CCCC2CCc1cnccc1C(=O)O.Cc1c(F)cccc1-c1ccc2c(c1)OCCC2CCc1cnccc1C(=O)O.O=C(O)c1ccncc1CCC1CCCc2cc(Oc3ccccc3C(F)(F)F)ccc21.O=C(O)c1ccncc1CCC1CCOc2cc(-c3ccccc3Cl)ccc21.O=C(O)c1ccncc1CCC1CCOc2cc(N3CCc4ccccc43)ccc21.

What is the InChIKey of 3-[2-[7-(2-chlorophenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(2,3-dihydroindol-1-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-methoxy-5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-[2-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid?

The InChIKey is JLBOUZVZZWDNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3NO3.C25H24N2O3.C24H22FNO3.C23H20ClNO3.C20H23NO3.C20H23NO2/c26-25(27,28)22-6-1-2-7-23(22)32-19-10-11-20-16(4-3-5-17(20)14-19)8-9-18-15-29-13-12-21(18)24(30)31;28-25(29)22-9-12-26-16-19(22)6-5-17-11-14-30-24-15-20(7-8-21(17)24)27-13-10-18-3-1-2-4-23(18)27;1-15-19(3-2-4-22(15)25)17-7-8-20-16(10-12-29-23(20)13-17)5-6-18-14-26-11-9-21(18)24(27)28;24-21-4-2-1-3-18(21)16-7-8-19-15(10-12-28-22(19)13-16)5-6-17-14-25-11-9-20(17)23(26)27;1-13-16-5-3-4-14(17(16)8-9-19(13)24-2)6-7-15-12-21-11-10-18(15)20(22)23;1-2-14-6-9-18-15(4-3-5-16(18)12-14)7-8-17-13-21-11-10-19(17)20(22)23/h1-2,6-7,10-16H,3-5,8-9H2,(H,30,31);1-4,7-9,12,15-17H,5-6,10-11,13-14H2,(H,28,29);2-4,7-9,11,13-14,16H,5-6,10,12H2,1H3,(H,27,28);1-4,7-9,11,13-15H,5-6,10,12H2,(H,26,27);8-12,14H,3-7H2,1-2H3,(H,22,23);6,9-13,15H,2-5,7-8H2,1H3,(H,22,23).

What are the key properties of 3-[2-[7-(2-chlorophenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(2,3-dihydroindol-1-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-methoxy-5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-[2-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid?

3-[2-[7-(2-chlorophenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(2,3-dihydroindol-1-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-methoxy-5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-[2-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid has a molecular weight of 2262.06 g/mol, XLogP of 31.15, 31 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[7-(2-chlorophenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(2,3-dihydroindol-1-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-methoxy-5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-[2-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 158948058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).