3-[2-[6-(2-chlorophenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2,4-dimethylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;bis(3-[2-[6-(2-fluoro-4-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid);3-[2-[7-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid

C124H120ClF2N5O15 — CID 157204153

About 3-[2-[6-(2-chlorophenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2,4-dimethylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;bis(3-[2-[6-(2-fluoro-4-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid);3-[2-[7-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid

3-[2-[6-(2-chlorophenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2,4-dimethylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;bis(3-[2-[6-(2-fluoro-4-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid);3-[2-[7-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid (PubChem CID 157204153) has the molecular formula C124H120ClF2N5O15 and a molecular weight of 1993.79 g/mol. Its IUPAC name is 3-[2-[6-(2-chlorophenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2,4-dimethylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;bis(3-[2-[6-(2-fluoro-4-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid);3-[2-[7-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid.

Molecular Properties

• Compound Name: 3-[2-[6-(2-chlorophenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2,4-dimethylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;bis(3-[2-[6-(2-fluoro-4-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid);3-[2-[7-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid
• PubChem CID: 157204153
• Molecular Formula: C124H120ClF2N5O15
• Molecular Weight: 1993.79 g/mol
• Exact Mass: 1991.84
• IUPAC Name: 3-[2-[6-(2-chlorophenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2,4-dimethylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;bis(3-[2-[6-(2-fluoro-4-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid);3-[2-[7-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid
• SMILES: Cc1ccc(Oc2ccc3c(c2)CCCC3CCc2cnccc2C(=O)O)c(C)c1.Cc1ccc(Oc2ccc3c(c2)CCCC3CCc2cnccc2C(=O)O)c(F)c1.Cc1ccc(Oc2ccc3c(c2)CCCC3CCc2cnccc2C(=O)O)c(F)c1.Cc1ccccc1-c1ccc2c(c1)OCCC2CCc1cnccc1C(=O)O.O=C(O)c1ccncc1CCC1CCCc2cc(Oc3ccccc3Cl)ccc21
• InChI: InChI=1S/C26H27NO3.2C25H24FNO3.C24H22ClNO3.C24H23NO3/c1-17-6-11-25(18(2)14-17)30-22-9-10-23-19(4-3-5-20(23)15-22)7-8-21-16-27-13-12-24(21)26(28)29;2*1-16-5-10-24(23(26)13-16)30-20-8-9-21-17(3-2-4-18(21)14-20)6-7-19-15-27-12-11-22(19)25(28)29;25-22-6-1-2-7-23(22)29-19-10-11-20-16(4-3-5-17(20)14-19)8-9-18-15-26-13-12-21(18)24(27)28;1-16-4-2-3-5-20(16)18-8-9-21-17(11-13-28-23(21)14-18)6-7-19-15-25-12-10-22(19)24(26)27/h6,9-16,19H,3-5,7-8H2,1-2H3,(H,28,29);2*5,8-15,17H,2-4,6-7H2,1H3,(H,28,29);1-2,6-7,10-16H,3-5,8-9H2,(H,27,28);2-5,8-10,12,14-15,17H,6-7,11,13H2,1H3,(H,26,27)
• InChIKey: ARDMNBGYWLEFPP-UHFFFAOYSA-N
• XLogP: 29.92
• TPSA: 297.10 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 29
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1993.79
LogP ≤ 5	29.92
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 3-[2-[6-(2-chlorophenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2,4-dimethylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;bis(3-[2-[6-(2-fluoro-4-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid);3-[2-[7-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid?

The IUPAC name of 3-[2-[6-(2-chlorophenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2,4-dimethylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;bis(3-[2-[6-(2-fluoro-4-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid);3-[2-[7-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid (CID 157204153) is 3-[2-[6-(2-chlorophenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2,4-dimethylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;bis(3-[2-[6-(2-fluoro-4-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid);3-[2-[7-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid.

What is the SMILES notation for 3-[2-[6-(2-chlorophenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2,4-dimethylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;bis(3-[2-[6-(2-fluoro-4-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid);3-[2-[7-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid?

The canonical SMILES for 3-[2-[6-(2-chlorophenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2,4-dimethylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;bis(3-[2-[6-(2-fluoro-4-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid);3-[2-[7-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid is Cc1ccc(Oc2ccc3c(c2)CCCC3CCc2cnccc2C(=O)O)c(C)c1.Cc1ccc(Oc2ccc3c(c2)CCCC3CCc2cnccc2C(=O)O)c(F)c1.Cc1ccc(Oc2ccc3c(c2)CCCC3CCc2cnccc2C(=O)O)c(F)c1.Cc1ccccc1-c1ccc2c(c1)OCCC2CCc1cnccc1C(=O)O.O=C(O)c1ccncc1CCC1CCCc2cc(Oc3ccccc3Cl)ccc21.

What is the InChIKey of 3-[2-[6-(2-chlorophenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2,4-dimethylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;bis(3-[2-[6-(2-fluoro-4-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid);3-[2-[7-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid?

The InChIKey is ARDMNBGYWLEFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO3.2C25H24FNO3.C24H22ClNO3.C24H23NO3/c1-17-6-11-25(18(2)14-17)30-22-9-10-23-19(4-3-5-20(23)15-22)7-8-21-16-27-13-12-24(21)26(28)29;2*1-16-5-10-24(23(26)13-16)30-20-8-9-21-17(3-2-4-18(21)14-20)6-7-19-15-27-12-11-22(19)25(28)29;25-22-6-1-2-7-23(22)29-19-10-11-20-16(4-3-5-17(20)14-19)8-9-18-15-26-13-12-21(18)24(27)28;1-16-4-2-3-5-20(16)18-8-9-21-17(11-13-28-23(21)14-18)6-7-19-15-25-12-10-22(19)24(26)27/h6,9-16,19H,3-5,7-8H2,1-2H3,(H,28,29);2*5,8-15,17H,2-4,6-7H2,1H3,(H,28,29);1-2,6-7,10-16H,3-5,8-9H2,(H,27,28);2-5,8-10,12,14-15,17H,6-7,11,13H2,1H3,(H,26,27).

What are the key properties of 3-[2-[6-(2-chlorophenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2,4-dimethylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;bis(3-[2-[6-(2-fluoro-4-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid);3-[2-[7-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid?

3-[2-[6-(2-chlorophenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2,4-dimethylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;bis(3-[2-[6-(2-fluoro-4-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid);3-[2-[7-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid has a molecular weight of 1993.79 g/mol, XLogP of 29.92, 29 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[6-(2-chlorophenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2,4-dimethylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;bis(3-[2-[6-(2-fluoro-4-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid);3-[2-[7-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 157204153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).