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)

C131H138F2N6O16S2 — CID 159603586

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-(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) (PubChem CID 159603586) has the molecular formula C131H138F2N6O16S2 and a molecular weight of 2154.70 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).

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)
• PubChem CID: 159603586
• Molecular Formula: C131H138F2N6O16S2
• Molecular Weight: 2154.70 g/mol
• Exact Mass: 2152.96
• 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)
• 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
• InChI: InChI=1S/2C25H25NO2S.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;1-15(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);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: MLUKAWRCMSRXOK-UHFFFAOYSA-N
• XLogP: 29.53
• TPSA: 338.06 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 32
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2154.70
LogP ≤ 5	29.53
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-[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)?

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) (CID 159603586) 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).

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)?

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) 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.

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)?

The InChIKey is MLUKAWRCMSRXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H25NO2S.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;1-15(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);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-(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) has a molecular weight of 2154.70 g/mol, XLogP of 29.53, 32 rotatable bonds, 6 hydrogen bond donors, and 18 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) is sourced from PubChem (CID 159603586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).