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

C133H130ClF5N6O18 — CID 158472481

About 3-[2-[7-(2-chlorophenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(7-fluoro-6-methoxy-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-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3-methylbut-1-ynyl)-3,4-dihydro-2H-chromen-4-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-fluoro-6-methoxy-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-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3-methylbut-1-ynyl)-3,4-dihydro-2H-chromen-4-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 158472481) has the molecular formula C133H130ClF5N6O18 and a molecular weight of 2230.97 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-fluoro-6-methoxy-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-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3-methylbut-1-ynyl)-3,4-dihydro-2H-chromen-4-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-fluoro-6-methoxy-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-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3-methylbut-1-ynyl)-3,4-dihydro-2H-chromen-4-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: 158472481
• Molecular Formula: C133H130ClF5N6O18
• Molecular Weight: 2230.97 g/mol
• Exact Mass: 2228.91
• IUPAC Name: 3-[2-[7-(2-chlorophenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(7-fluoro-6-methoxy-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-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3-methylbut-1-ynyl)-3,4-dihydro-2H-chromen-4-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: CC(C)C#Cc1ccc2c(c1)OCCC2CCc1cnccc1C(=O)O.COc1cc2c(cc1C)C(CCc1cnccc1C(=O)O)CCC2.COc1cc2c(cc1F)C(CCc1cnccc1C(=O)O)CCC2.Cc1c(F)cccc1-c1ccc2c(c1)OCCC2CCc1cnccc1C(=O)O.O=C(O)c1ccncc1CCC1CCCc2cc(Oc3ccccc3C(F)(F)F)ccc21.O=C(O)c1ccncc1CCC1CCOc2cc(-c3ccccc3Cl)ccc21
• InChI: InChI=1S/C25H22F3NO3.C24H22FNO3.C23H20ClNO3.C22H23NO3.C20H23NO3.C19H20FNO3/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;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;1-15(2)3-4-16-5-8-19-17(10-12-26-21(19)13-16)6-7-18-14-23-11-9-20(18)22(24)25;1-13-10-18-14(4-3-5-15(18)11-19(13)24-2)6-7-16-12-21-9-8-17(16)20(22)23;1-24-18-9-13-4-2-3-12(16(13)10-17(18)20)5-6-14-11-21-8-7-15(14)19(22)23/h1-2,6-7,10-16H,3-5,8-9H2,(H,30,31);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);5,8-9,11,13-15,17H,6-7,10,12H2,1-2H3,(H,24,25);8-12,14H,3-7H2,1-2H3,(H,22,23);7-12H,2-6H2,1H3,(H,22,23)
• InChIKey: HGNDXSBGAZEZLD-UHFFFAOYSA-N
• XLogP: 30.05
• TPSA: 356.52 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 30
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2230.97
LogP ≤ 5	30.05
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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-fluoro-6-methoxy-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-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3-methylbut-1-ynyl)-3,4-dihydro-2H-chromen-4-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-fluoro-6-methoxy-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-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3-methylbut-1-ynyl)-3,4-dihydro-2H-chromen-4-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 158472481) is 3-[2-[7-(2-chlorophenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(7-fluoro-6-methoxy-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-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3-methylbut-1-ynyl)-3,4-dihydro-2H-chromen-4-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-fluoro-6-methoxy-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-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3-methylbut-1-ynyl)-3,4-dihydro-2H-chromen-4-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-fluoro-6-methoxy-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-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3-methylbut-1-ynyl)-3,4-dihydro-2H-chromen-4-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 CC(C)C#Cc1ccc2c(c1)OCCC2CCc1cnccc1C(=O)O.COc1cc2c(cc1C)C(CCc1cnccc1C(=O)O)CCC2.COc1cc2c(cc1F)C(CCc1cnccc1C(=O)O)CCC2.Cc1c(F)cccc1-c1ccc2c(c1)OCCC2CCc1cnccc1C(=O)O.O=C(O)c1ccncc1CCC1CCCc2cc(Oc3ccccc3C(F)(F)F)ccc21.O=C(O)c1ccncc1CCC1CCOc2cc(-c3ccccc3Cl)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-fluoro-6-methoxy-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-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3-methylbut-1-ynyl)-3,4-dihydro-2H-chromen-4-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 HGNDXSBGAZEZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3NO3.C24H22FNO3.C23H20ClNO3.C22H23NO3.C20H23NO3.C19H20FNO3/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;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;1-15(2)3-4-16-5-8-19-17(10-12-26-21(19)13-16)6-7-18-14-23-11-9-20(18)22(24)25;1-13-10-18-14(4-3-5-15(18)11-19(13)24-2)6-7-16-12-21-9-8-17(16)20(22)23;1-24-18-9-13-4-2-3-12(16(13)10-17(18)20)5-6-14-11-21-8-7-15(14)19(22)23/h1-2,6-7,10-16H,3-5,8-9H2,(H,30,31);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);5,8-9,11,13-15,17H,6-7,10,12H2,1-2H3,(H,24,25);8-12,14H,3-7H2,1-2H3,(H,22,23);7-12H,2-6H2,1H3,(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-fluoro-6-methoxy-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-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3-methylbut-1-ynyl)-3,4-dihydro-2H-chromen-4-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-fluoro-6-methoxy-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-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3-methylbut-1-ynyl)-3,4-dihydro-2H-chromen-4-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 2230.97 g/mol, XLogP of 30.05, 30 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-fluoro-6-methoxy-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-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3-methylbut-1-ynyl)-3,4-dihydro-2H-chromen-4-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 158472481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).