3-[2-(7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[5-(cyclopropylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(cyclopropylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-phenoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-phenoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(7-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid

C174H183ClN8O22 — CID 158116299

About 3-[2-(7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[5-(cyclopropylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(cyclopropylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-phenoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-phenoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(7-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid

3-[2-(7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[5-(cyclopropylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(cyclopropylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-phenoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-phenoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(7-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid (PubChem CID 158116299) has the molecular formula C174H183ClN8O22 and a molecular weight of 2773.86 g/mol. Its IUPAC name is 3-[2-(7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[5-(cyclopropylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(cyclopropylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-phenoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-phenoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(7-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid.

Molecular Properties

• Compound Name: 3-[2-(7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[5-(cyclopropylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(cyclopropylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-phenoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-phenoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(7-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid
• PubChem CID: 158116299
• Molecular Formula: C174H183ClN8O22
• Molecular Weight: 2773.86 g/mol
• Exact Mass: 2771.31
• IUPAC Name: 3-[2-(7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[5-(cyclopropylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(cyclopropylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-phenoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-phenoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(7-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid
• SMILES: CCCOc1ccc2c(c1)CCCC2CCc1cnccc1C(=O)O.COc1cccc2c1CCCC2CCc1cnccc1C(=O)O.O=C(O)c1ccncc1CCC1CCCc2c(OCC3CC3)cccc21.O=C(O)c1ccncc1CCC1CCCc2c(Oc3ccccc3)cccc21.O=C(O)c1ccncc1CCC1CCCc2cc(OCC3CC3)ccc21.O=C(O)c1ccncc1CCC1CCCc2cc(Oc3ccccc3)ccc21.O=C(O)c1ccncc1CCC1CCCc2ccc(-c3ccccc3)cc21.O=C(O)c1ccncc1CCC1CCCc2ccc(Cl)cc21
• InChI: InChI=1S/2C24H23NO3.C24H23NO2.2C22H25NO3.C21H25NO3.C19H21NO3.C18H18ClNO2/c26-24(27)21-14-15-25-16-18(21)13-12-17-6-4-10-22-20(17)9-5-11-23(22)28-19-7-2-1-3-8-19;26-24(27)23-13-14-25-16-19(23)10-9-17-5-4-6-18-15-21(11-12-22(17)18)28-20-7-2-1-3-8-20;26-24(27)22-13-14-25-16-21(22)12-10-19-8-4-7-18-9-11-20(15-23(18)19)17-5-2-1-3-6-17;24-22(25)19-11-12-23-13-17(19)10-9-16-3-1-5-20-18(16)4-2-6-21(20)26-14-15-7-8-15;24-22(25)21-10-11-23-13-18(21)7-6-16-2-1-3-17-12-19(8-9-20(16)17)26-14-15-4-5-15;1-2-12-25-18-8-9-19-15(4-3-5-16(19)13-18)6-7-17-14-22-11-10-20(17)21(23)24;1-23-18-7-3-5-15-13(4-2-6-17(15)18)8-9-14-12-20-11-10-16(14)19(21)22;19-15-7-6-13-3-1-2-12(17(13)10-15)4-5-14-11-20-9-8-16(14)18(21)22/h1-3,5,7-9,11,14-17H,4,6,10,12-13H2,(H,26,27);1-3,7-8,11-17H,4-6,9-10H2,(H,26,27);1-3,5-6,9,11,13-16,19H,4,7-8,10,12H2,(H,26,27);2,4,6,11-13,15-16H,1,3,5,7-10,14H2,(H,24,25);8-13,15-16H,1-7,14H2,(H,24,25);8-11,13-15H,2-7,12H2,1H3,(H,23,24);3,5,7,10-13H,2,4,6,8-9H2,1H3,(H,21,22);6-12H,1-5H2,(H,21,22)
• InChIKey: FRAVIDQDJLQJRR-UHFFFAOYSA-N
• XLogP: 38.94
• TPSA: 456.90 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 47
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2773.86
LogP ≤ 5	38.94
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 3-[2-(7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[5-(cyclopropylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(cyclopropylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-phenoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-phenoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(7-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid?

The IUPAC name of 3-[2-(7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[5-(cyclopropylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(cyclopropylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-phenoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-phenoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(7-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid (CID 158116299) is 3-[2-(7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[5-(cyclopropylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(cyclopropylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-phenoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-phenoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(7-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid.

What is the SMILES notation for 3-[2-(7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[5-(cyclopropylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(cyclopropylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-phenoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-phenoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(7-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid?

The canonical SMILES for 3-[2-(7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[5-(cyclopropylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(cyclopropylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-phenoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-phenoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(7-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid is CCCOc1ccc2c(c1)CCCC2CCc1cnccc1C(=O)O.COc1cccc2c1CCCC2CCc1cnccc1C(=O)O.O=C(O)c1ccncc1CCC1CCCc2c(OCC3CC3)cccc21.O=C(O)c1ccncc1CCC1CCCc2c(Oc3ccccc3)cccc21.O=C(O)c1ccncc1CCC1CCCc2cc(OCC3CC3)ccc21.O=C(O)c1ccncc1CCC1CCCc2cc(Oc3ccccc3)ccc21.O=C(O)c1ccncc1CCC1CCCc2ccc(-c3ccccc3)cc21.O=C(O)c1ccncc1CCC1CCCc2ccc(Cl)cc21.

What is the InChIKey of 3-[2-(7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[5-(cyclopropylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(cyclopropylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-phenoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-phenoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(7-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid?

The InChIKey is FRAVIDQDJLQJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H23NO3.C24H23NO2.2C22H25NO3.C21H25NO3.C19H21NO3.C18H18ClNO2/c26-24(27)21-14-15-25-16-18(21)13-12-17-6-4-10-22-20(17)9-5-11-23(22)28-19-7-2-1-3-8-19;26-24(27)23-13-14-25-16-19(23)10-9-17-5-4-6-18-15-21(11-12-22(17)18)28-20-7-2-1-3-8-20;26-24(27)22-13-14-25-16-21(22)12-10-19-8-4-7-18-9-11-20(15-23(18)19)17-5-2-1-3-6-17;24-22(25)19-11-12-23-13-17(19)10-9-16-3-1-5-20-18(16)4-2-6-21(20)26-14-15-7-8-15;24-22(25)21-10-11-23-13-18(21)7-6-16-2-1-3-17-12-19(8-9-20(16)17)26-14-15-4-5-15;1-2-12-25-18-8-9-19-15(4-3-5-16(19)13-18)6-7-17-14-22-11-10-20(17)21(23)24;1-23-18-7-3-5-15-13(4-2-6-17(15)18)8-9-14-12-20-11-10-16(14)19(21)22;19-15-7-6-13-3-1-2-12(17(13)10-15)4-5-14-11-20-9-8-16(14)18(21)22/h1-3,5,7-9,11,14-17H,4,6,10,12-13H2,(H,26,27);1-3,7-8,11-17H,4-6,9-10H2,(H,26,27);1-3,5-6,9,11,13-16,19H,4,7-8,10,12H2,(H,26,27);2,4,6,11-13,15-16H,1,3,5,7-10,14H2,(H,24,25);8-13,15-16H,1-7,14H2,(H,24,25);8-11,13-15H,2-7,12H2,1H3,(H,23,24);3,5,7,10-13H,2,4,6,8-9H2,1H3,(H,21,22);6-12H,1-5H2,(H,21,22).

What are the key properties of 3-[2-(7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[5-(cyclopropylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(cyclopropylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-phenoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-phenoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(7-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid?

3-[2-(7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[5-(cyclopropylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(cyclopropylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-phenoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-phenoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(7-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid has a molecular weight of 2773.86 g/mol, XLogP of 38.94, 47 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[5-(cyclopropylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(cyclopropylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-phenoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-phenoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(7-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 158116299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).