3-[2-[6-(1-fluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-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-(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;bis(3-[2-[6-(4-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid);3-[2-[6-(3-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid

C156H163F2N7O18S2 — CID 161246445

About 3-[2-[6-(1-fluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-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-(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;bis(3-[2-[6-(4-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid);3-[2-[6-(3-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid

3-[2-[6-(1-fluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-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-(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;bis(3-[2-[6-(4-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid);3-[2-[6-(3-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid (PubChem CID 161246445) has the molecular formula C156H163F2N7O18S2 and a molecular weight of 2526.18 g/mol. Its IUPAC name is 3-[2-[6-(1-fluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-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-(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;bis(3-[2-[6-(4-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid);3-[2-[6-(3-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid.

Molecular Properties

• Compound Name: 3-[2-[6-(1-fluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-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-(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;bis(3-[2-[6-(4-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid);3-[2-[6-(3-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid
• PubChem CID: 161246445
• Molecular Formula: C156H163F2N7O18S2
• Molecular Weight: 2526.18 g/mol
• Exact Mass: 2524.15
• IUPAC Name: 3-[2-[6-(1-fluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-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-(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;bis(3-[2-[6-(4-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid);3-[2-[6-(3-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid
• SMILES: CC(C)C#Cc1ccc2c(c1)OCCC2CCc1cnccc1C(=O)O.CC(F)Oc1ccc2c(c1)CCCC2CCc1cnccc1C(=O)O.COc1cc2c(cc1C)C(CCc1cnccc1C(=O)O)CCC2.COc1cc2c(cc1F)C(CCc1cnccc1C(=O)O)CCC2.Cc1ccc(Sc2ccc3c(c2)CCCC3CCc2cnccc2C(=O)O)cc1.Cc1ccc(Sc2ccc3c(c2)CCCC3CCc2cnccc2C(=O)O)cc1.Cc1cccc(-c2ccc3c(c2)CCCC3CCc2cnccc2C(=O)O)c1
• InChI: InChI=1S/2C25H25NO2S.C25H25NO2.C22H23NO3.C20H22FNO3.C20H23NO3.C19H20FNO3/c2*1-17-5-9-21(10-6-17)29-22-11-12-23-18(3-2-4-19(23)15-22)7-8-20-16-26-14-13-24(20)25(27)28;1-17-4-2-6-19(14-17)20-10-11-23-18(5-3-7-21(23)15-20)8-9-22-16-26-13-12-24(22)25(27)28;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(21)25-17-7-8-18-14(3-2-4-15(18)11-17)5-6-16-12-22-10-9-19(16)20(23)24;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/h2*5-6,9-16,18H,2-4,7-8H2,1H3,(H,27,28);2,4,6,10-16,18H,3,5,7-9H2,1H3,(H,27,28);5,8-9,11,13-15,17H,6-7,10,12H2,1-2H3,(H,24,25);7-14H,2-6H2,1H3,(H,23,24);8-12,14H,3-7H2,1-2H3,(H,22,23);7-12H,2-6H2,1H3,(H,22,23)
• InChIKey: VARVPMIOAVYIFM-UHFFFAOYSA-N
• XLogP: 35.33
• TPSA: 388.25 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 20
• Rotatable Bonds: 37
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2526.18
LogP ≤ 5	35.33
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2-[6-(1-fluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-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-(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;bis(3-[2-[6-(4-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid);3-[2-[6-(3-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid?

The IUPAC name of 3-[2-[6-(1-fluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-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-(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;bis(3-[2-[6-(4-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid);3-[2-[6-(3-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid (CID 161246445) is 3-[2-[6-(1-fluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-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-(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;bis(3-[2-[6-(4-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid);3-[2-[6-(3-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid.

What is the SMILES notation for 3-[2-[6-(1-fluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-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-(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;bis(3-[2-[6-(4-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid);3-[2-[6-(3-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid?

The canonical SMILES for 3-[2-[6-(1-fluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-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-(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;bis(3-[2-[6-(4-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid);3-[2-[6-(3-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid is CC(C)C#Cc1ccc2c(c1)OCCC2CCc1cnccc1C(=O)O.CC(F)Oc1ccc2c(c1)CCCC2CCc1cnccc1C(=O)O.COc1cc2c(cc1C)C(CCc1cnccc1C(=O)O)CCC2.COc1cc2c(cc1F)C(CCc1cnccc1C(=O)O)CCC2.Cc1ccc(Sc2ccc3c(c2)CCCC3CCc2cnccc2C(=O)O)cc1.Cc1ccc(Sc2ccc3c(c2)CCCC3CCc2cnccc2C(=O)O)cc1.Cc1cccc(-c2ccc3c(c2)CCCC3CCc2cnccc2C(=O)O)c1.

What is the InChIKey of 3-[2-[6-(1-fluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-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-(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;bis(3-[2-[6-(4-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid);3-[2-[6-(3-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid?

The InChIKey is VARVPMIOAVYIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H25NO2S.C25H25NO2.C22H23NO3.C20H22FNO3.C20H23NO3.C19H20FNO3/c2*1-17-5-9-21(10-6-17)29-22-11-12-23-18(3-2-4-19(23)15-22)7-8-20-16-26-14-13-24(20)25(27)28;1-17-4-2-6-19(14-17)20-10-11-23-18(5-3-7-21(23)15-20)8-9-22-16-26-13-12-24(22)25(27)28;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(21)25-17-7-8-18-14(3-2-4-15(18)11-17)5-6-16-12-22-10-9-19(16)20(23)24;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/h2*5-6,9-16,18H,2-4,7-8H2,1H3,(H,27,28);2,4,6,10-16,18H,3,5,7-9H2,1H3,(H,27,28);5,8-9,11,13-15,17H,6-7,10,12H2,1-2H3,(H,24,25);7-14H,2-6H2,1H3,(H,23,24);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-[6-(1-fluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-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-(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;bis(3-[2-[6-(4-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid);3-[2-[6-(3-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid?

3-[2-[6-(1-fluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-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-(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;bis(3-[2-[6-(4-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid);3-[2-[6-(3-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid has a molecular weight of 2526.18 g/mol, XLogP of 35.33, 37 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[6-(1-fluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-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-(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;bis(3-[2-[6-(4-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid);3-[2-[6-(3-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 161246445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).