3-[2-(5,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2-fluorophenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-(3-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(4-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-[(6-methyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridazine-4-carboxylic acid

C197H208F3N11O26 — CID 158592986

IUPAC3-[2-(5,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2-fluorophenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-(3-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(4-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-[(6-methyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridazine-4-carboxylic acid
SMILESCCCOc1ccc2c(c1)CCCC2CCc1nnccc1C(=O)O.CCCOc1ccc2c(c1F)CCCC2CCc1cnccc1C(=O)O.COc1ccc2c(c1)C(CCc1cnccc1C(=O)O)CCC2.COc1ccc2c(c1F)CCCC2CCc1cnccc1C(=O)O.Cc1ccc(Oc2ccc3c(c2)CCCC3CCc2cnccc2C(=O)O)cc1.Cc1ccc2c(c1C)CCCC2CCc1cnccc1C(=O)O.Cc1cccc(Oc2ccc3c(c2)CCCC3CCc2cnccc2C(=O)O)c1.Cc1cccc(Oc2ccc3c(c2)CCCC3CCc2cnccc2C(=O)O)n1.O=C(O)c1ccncc1CCC1CCCc2cc(Oc3ccccc3F)ccc21
InChIInChI=1S/2C25H25NO3.C24H22FNO3.C24H24N2O3.C21H24FNO3.C20H24N2O3.C20H23NO2.C19H20FNO3.C19H21NO3/c1-17-4-2-7-21(14-17)29-22-10-11-23-18(5-3-6-19(23)15-22)8-9-20-16-26-13-12-24(20)25(27)28;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;25-22-6-1-2-7-23(22)29-19-10-11-20-16(4-3-5-17(20)14-19)8-9-18-15-26-13-12-21(18)24(27)28;1-16-4-2-7-23(26-16)29-20-10-11-21-17(5-3-6-18(21)14-20)8-9-19-15-25-13-12-22(19)24(27)28;1-2-12-26-19-9-8-16-14(4-3-5-18(16)20(19)22)6-7-15-13-23-11-10-17(15)21(24)25;1-2-12-25-16-7-8-17-14(4-3-5-15(17)13-16)6-9-19-18(20(23)24)10-11-21-22-19;1-13-6-9-18-15(4-3-5-17(18)14(13)2)7-8-16-12-21-11-10-19(16)20(22)23;1-24-17-8-7-14-12(3-2-4-16(14)18(17)20)5-6-13-11-21-10-9-15(13)19(22)23;1-23-16-8-7-14-4-2-3-13(18(14)11-16)5-6-15-12-20-10-9-17(15)19(21)22/h2,4,7,10-16,18H,3,5-6,8-9H2,1H3,(H,27,28);5-6,9-16,18H,2-4,7-8H2,1H3,(H,27,28);1-2,6-7,10-16H,3-5,8-9H2,(H,27,28);2,4,7,10-15,17H,3,5-6,8-9H2,1H3,(H,27,28);8-11,13-14H,2-7,12H2,1H3,(H,24,25);7-8,10-11,13-14H,2-6,9,12H2,1H3,(H,23,24);6,9-12,15H,3-5,7-8H2,1-2H3,(H,22,23);7-12H,2-6H2,1H3,(H,22,23);7-13H,2-6H2,1H3,(H,21,22)
InChIKeyHURDFEXMYHUVLC-UHFFFAOYSA-N
MW3202.88 g/mol
LogP44.01
Rot. Bonds52

About 3-[2-(5,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2-fluorophenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-(3-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(4-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-[(6-methyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridazine-4-carboxylic acid

3-[2-(5,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2-fluorophenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-(3-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(4-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-[(6-methyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridazine-4-carboxylic acid (PubChem CID 158592986) has the molecular formula C197H208F3N11O26 and a molecular weight of 3202.88 g/mol. Its IUPAC name is 3-[2-(5,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2-fluorophenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-(3-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(4-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-[(6-methyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-(5,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2-fluorophenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-(3-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(4-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-[(6-methyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridazine-4-carboxylic acid
PubChem CID158592986
Molecular FormulaC197H208F3N11O26
Molecular Weight3202.88 g/mol
Exact Mass3200.52
IUPAC Name3-[2-(5,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2-fluorophenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-(3-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(4-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-[(6-methyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridazine-4-carboxylic acid
SMILESCCCOc1ccc2c(c1)CCCC2CCc1nnccc1C(=O)O.CCCOc1ccc2c(c1F)CCCC2CCc1cnccc1C(=O)O.COc1ccc2c(c1)C(CCc1cnccc1C(=O)O)CCC2.COc1ccc2c(c1F)CCCC2CCc1cnccc1C(=O)O.Cc1ccc(Oc2ccc3c(c2)CCCC3CCc2cnccc2C(=O)O)cc1.Cc1ccc2c(c1C)CCCC2CCc1cnccc1C(=O)O.Cc1cccc(Oc2ccc3c(c2)CCCC3CCc2cnccc2C(=O)O)c1.Cc1cccc(Oc2ccc3c(c2)CCCC3CCc2cnccc2C(=O)O)n1.O=C(O)c1ccncc1CCC1CCCc2cc(Oc3ccccc3F)ccc21
InChIInChI=1S/2C25H25NO3.C24H22FNO3.C24H24N2O3.C21H24FNO3.C20H24N2O3.C20H23NO2.C19H20FNO3.C19H21NO3/c1-17-4-2-7-21(14-17)29-22-10-11-23-18(5-3-6-19(23)15-22)8-9-20-16-26-13-12-24(20)25(27)28;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;25-22-6-1-2-7-23(22)29-19-10-11-20-16(4-3-5-17(20)14-19)8-9-18-15-26-13-12-21(18)24(27)28;1-16-4-2-7-23(26-16)29-20-10-11-21-17(5-3-6-18(21)14-20)8-9-19-15-25-13-12-22(19)24(27)28;1-2-12-26-19-9-8-16-14(4-3-5-18(16)20(19)22)6-7-15-13-23-11-10-17(15)21(24)25;1-2-12-25-16-7-8-17-14(4-3-5-15(17)13-16)6-9-19-18(20(23)24)10-11-21-22-19;1-13-6-9-18-15(4-3-5-17(18)14(13)2)7-8-16-12-21-11-10-19(16)20(22)23;1-24-17-8-7-14-12(3-2-4-16(14)18(17)20)5-6-13-11-21-10-9-15(13)19(22)23;1-23-16-8-7-14-4-2-3-13(18(14)11-16)5-6-15-12-20-10-9-17(15)19(21)22/h2,4,7,10-16,18H,3,5-6,8-9H2,1H3,(H,27,28);5-6,9-16,18H,2-4,7-8H2,1H3,(H,27,28);1-2,6-7,10-16H,3-5,8-9H2,(H,27,28);2,4,7,10-15,17H,3,5-6,8-9H2,1H3,(H,27,28);8-11,13-14H,2-7,12H2,1H3,(H,24,25);7-8,10-11,13-14H,2-6,9,12H2,1H3,(H,23,24);6,9-12,15H,3-5,7-8H2,1-2H3,(H,22,23);7-12H,2-6H2,1H3,(H,22,23);7-13H,2-6H2,1H3,(H,21,22)
InChIKeyHURDFEXMYHUVLC-UHFFFAOYSA-N
XLogP44.01
TPSA551.33 Ų
H-Bond Donors9
H-Bond Acceptors28
Rotatable Bonds52
Heavy Atoms237
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003202.88
LogP ≤ 544.01
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1028

Analyze 3-[2-(5,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2-fluorophenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-(3-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(4-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-[(6-methyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridazine-4-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(5,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2-fluorophenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-(3-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(4-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-[(6-methyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridazine-4-carboxylic acid?
The IUPAC name of 3-[2-(5,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2-fluorophenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-(3-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(4-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-[(6-methyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridazine-4-carboxylic acid (CID 158592986) is 3-[2-(5,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2-fluorophenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-(3-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(4-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-[(6-methyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-[2-(5,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2-fluorophenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-(3-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(4-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-[(6-methyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridazine-4-carboxylic acid?
The canonical SMILES for 3-[2-(5,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2-fluorophenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-(3-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(4-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-[(6-methyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridazine-4-carboxylic acid is CCCOc1ccc2c(c1)CCCC2CCc1nnccc1C(=O)O.CCCOc1ccc2c(c1F)CCCC2CCc1cnccc1C(=O)O.COc1ccc2c(c1)C(CCc1cnccc1C(=O)O)CCC2.COc1ccc2c(c1F)CCCC2CCc1cnccc1C(=O)O.Cc1ccc(Oc2ccc3c(c2)CCCC3CCc2cnccc2C(=O)O)cc1.Cc1ccc2c(c1C)CCCC2CCc1cnccc1C(=O)O.Cc1cccc(Oc2ccc3c(c2)CCCC3CCc2cnccc2C(=O)O)c1.Cc1cccc(Oc2ccc3c(c2)CCCC3CCc2cnccc2C(=O)O)n1.O=C(O)c1ccncc1CCC1CCCc2cc(Oc3ccccc3F)ccc21.
What is the InChIKey of 3-[2-(5,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2-fluorophenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-(3-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(4-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-[(6-methyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridazine-4-carboxylic acid?
The InChIKey is HURDFEXMYHUVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H25NO3.C24H22FNO3.C24H24N2O3.C21H24FNO3.C20H24N2O3.C20H23NO2.C19H20FNO3.C19H21NO3/c1-17-4-2-7-21(14-17)29-22-10-11-23-18(5-3-6-19(23)15-22)8-9-20-16-26-13-12-24(20)25(27)28;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;25-22-6-1-2-7-23(22)29-19-10-11-20-16(4-3-5-17(20)14-19)8-9-18-15-26-13-12-21(18)24(27)28;1-16-4-2-7-23(26-16)29-20-10-11-21-17(5-3-6-18(21)14-20)8-9-19-15-25-13-12-22(19)24(27)28;1-2-12-26-19-9-8-16-14(4-3-5-18(16)20(19)22)6-7-15-13-23-11-10-17(15)21(24)25;1-2-12-25-16-7-8-17-14(4-3-5-15(17)13-16)6-9-19-18(20(23)24)10-11-21-22-19;1-13-6-9-18-15(4-3-5-17(18)14(13)2)7-8-16-12-21-11-10-19(16)20(22)23;1-24-17-8-7-14-12(3-2-4-16(14)18(17)20)5-6-13-11-21-10-9-15(13)19(22)23;1-23-16-8-7-14-4-2-3-13(18(14)11-16)5-6-15-12-20-10-9-17(15)19(21)22/h2,4,7,10-16,18H,3,5-6,8-9H2,1H3,(H,27,28);5-6,9-16,18H,2-4,7-8H2,1H3,(H,27,28);1-2,6-7,10-16H,3-5,8-9H2,(H,27,28);2,4,7,10-15,17H,3,5-6,8-9H2,1H3,(H,27,28);8-11,13-14H,2-7,12H2,1H3,(H,24,25);7-8,10-11,13-14H,2-6,9,12H2,1H3,(H,23,24);6,9-12,15H,3-5,7-8H2,1-2H3,(H,22,23);7-12H,2-6H2,1H3,(H,22,23);7-13H,2-6H2,1H3,(H,21,22).
What are the key properties of 3-[2-(5,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2-fluorophenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-(3-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(4-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-[(6-methyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridazine-4-carboxylic acid?
3-[2-(5,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2-fluorophenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-(3-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(4-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-[(6-methyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridazine-4-carboxylic acid has a molecular weight of 3202.88 g/mol, XLogP of 44.01, 52 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2-fluorophenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-(3-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(4-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-[(6-methyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridazine-4-carboxylic acid is sourced from PubChem (CID 158592986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).