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-(1-hydroxy-6-methyl-3,4-dihydro-2H-naphthalen-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-(6-methyl-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-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid

C142H154ClN7O18 — CID 157222107

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-(1-hydroxy-6-methyl-3,4-dihydro-2H-naphthalen-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-(6-methyl-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-propan-2-yloxy-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-(1-hydroxy-6-methyl-3,4-dihydro-2H-naphthalen-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-(6-methyl-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-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid (PubChem CID 157222107) has the molecular formula C142H154ClN7O18 and a molecular weight of 2282.28 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-(1-hydroxy-6-methyl-3,4-dihydro-2H-naphthalen-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-(6-methyl-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-propan-2-yloxy-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-(1-hydroxy-6-methyl-3,4-dihydro-2H-naphthalen-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-(6-methyl-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-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid
• PubChem CID: 157222107
• Molecular Formula: C142H154ClN7O18
• Molecular Weight: 2282.28 g/mol
• Exact Mass: 2280.10
• 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-(1-hydroxy-6-methyl-3,4-dihydro-2H-naphthalen-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-(6-methyl-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-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid
• SMILES: CC(C)Oc1ccc2c(c1)CCCC2CCc1cnccc1C(=O)O.COc1cccc2c1CCCC2CCc1cnccc1C(=O)O.Cc1ccc2c(c1)CCCC2(O)CCc1cnccc1C(=O)O.Cc1ccc2c(c1)CCCC2CCc1cnccc1C(=O)O.O=C(O)c1ccncc1CCC1CCCc2c(OCC3CC3)cccc21.O=C(O)c1ccncc1CCC1CCCc2ccc(-c3ccccc3)cc21.O=C(O)c1ccncc1CCC1CCCc2ccc(Cl)cc21
• InChI: InChI=1S/C24H23NO2.C22H25NO3.C21H25NO3.2C19H21NO3.C19H21NO2.C18H18ClNO2/c26-24(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;1-14(2)25-18-8-9-19-15(4-3-5-16(19)12-18)6-7-17-13-22-11-10-20(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;1-13-4-5-17-14(11-13)3-2-8-19(17,23)9-6-15-12-20-10-7-16(15)18(21)22;1-13-5-8-17-14(3-2-4-15(17)11-13)6-7-16-12-20-10-9-18(16)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/h1-3,5-6,9,11,13-16,19H,4,7-8,10,12H2,(H,26,27);2,4,6,11-13,15-16H,1,3,5,7-10,14H2,(H,24,25);8-15H,3-7H2,1-2H3,(H,23,24);3,5,7,10-13H,2,4,6,8-9H2,1H3,(H,21,22);4-5,7,10-12,23H,2-3,6,8-9H2,1H3,(H,21,22);5,8-12,14H,2-4,6-7H2,1H3,(H,21,22);6-12H,1-5H2,(H,21,22)
• InChIKey: ATCPFIMAGYGVOU-UHFFFAOYSA-N
• XLogP: 30.45
• TPSA: 399.25 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 18
• Rotatable Bonds: 35
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2282.28
LogP ≤ 5	30.45
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	18

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-(1-hydroxy-6-methyl-3,4-dihydro-2H-naphthalen-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-(6-methyl-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-propan-2-yloxy-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-(1-hydroxy-6-methyl-3,4-dihydro-2H-naphthalen-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-(6-methyl-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-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid (CID 157222107) 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-(1-hydroxy-6-methyl-3,4-dihydro-2H-naphthalen-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-(6-methyl-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-propan-2-yloxy-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-(1-hydroxy-6-methyl-3,4-dihydro-2H-naphthalen-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-(6-methyl-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-propan-2-yloxy-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-(1-hydroxy-6-methyl-3,4-dihydro-2H-naphthalen-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-(6-methyl-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-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid is CC(C)Oc1ccc2c(c1)CCCC2CCc1cnccc1C(=O)O.COc1cccc2c1CCCC2CCc1cnccc1C(=O)O.Cc1ccc2c(c1)CCCC2(O)CCc1cnccc1C(=O)O.Cc1ccc2c(c1)CCCC2CCc1cnccc1C(=O)O.O=C(O)c1ccncc1CCC1CCCc2c(OCC3CC3)cccc21.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-(1-hydroxy-6-methyl-3,4-dihydro-2H-naphthalen-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-(6-methyl-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-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid?

The InChIKey is ATCPFIMAGYGVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2.C22H25NO3.C21H25NO3.2C19H21NO3.C19H21NO2.C18H18ClNO2/c26-24(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;1-14(2)25-18-8-9-19-15(4-3-5-16(19)12-18)6-7-17-13-22-11-10-20(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;1-13-4-5-17-14(11-13)3-2-8-19(17,23)9-6-15-12-20-10-7-16(15)18(21)22;1-13-5-8-17-14(3-2-4-15(17)11-13)6-7-16-12-20-10-9-18(16)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/h1-3,5-6,9,11,13-16,19H,4,7-8,10,12H2,(H,26,27);2,4,6,11-13,15-16H,1,3,5,7-10,14H2,(H,24,25);8-15H,3-7H2,1-2H3,(H,23,24);3,5,7,10-13H,2,4,6,8-9H2,1H3,(H,21,22);4-5,7,10-12,23H,2-3,6,8-9H2,1H3,(H,21,22);5,8-12,14H,2-4,6-7H2,1H3,(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-(1-hydroxy-6-methyl-3,4-dihydro-2H-naphthalen-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-(6-methyl-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-propan-2-yloxy-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-(1-hydroxy-6-methyl-3,4-dihydro-2H-naphthalen-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-(6-methyl-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-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid has a molecular weight of 2282.28 g/mol, XLogP of 30.45, 35 rotatable bonds, 8 hydrogen bond donors, and 18 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-(1-hydroxy-6-methyl-3,4-dihydro-2H-naphthalen-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-(6-methyl-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-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 157222107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).