3-[2-(6,7-dimethyl-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-(furan-3-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-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-(7-phenoxy-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid

C159H151F3N8O23 — CID 160866651

IUPAC3-[2-(6,7-dimethyl-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-(furan-3-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-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-(7-phenoxy-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid
SMILESCc1cc2c(cc1C)C(CCc1cnccc1C(=O)O)CCO2.Cc1ccc(-c2ccc3c(c2)OCCC3CCc2cnccc2C(=O)O)cc1.Cc1cccc(-c2ccc3c(c2)OCCC3CCc2cnccc2C(=O)O)c1.Cc1cccc(Oc2ccc3c(c2)CCCC3CCc2cnccc2C(=O)O)n1.O=C(O)c1ccncc1CCC1CCOc2cc(-c3ccc(C(F)(F)F)cc3)ccc21.O=C(O)c1ccncc1CCC1CCOc2cc(-c3ccoc3)ccc21.O=C(O)c1ccncc1CCC1CCOc2cc(Oc3ccccc3)ccc21
InChIInChI=1S/C24H20F3NO3.C24H24N2O3.2C24H23NO3.C23H21NO4.C21H19NO4.C19H21NO3/c25-24(26,27)19-6-3-15(4-7-19)17-5-8-20-16(10-12-31-22(20)13-17)1-2-18-14-28-11-9-21(18)23(29)30;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;1-16-2-4-17(5-3-16)19-8-9-21-18(11-13-28-23(21)14-19)6-7-20-15-25-12-10-22(20)24(26)27;1-16-3-2-4-18(13-16)19-7-8-21-17(10-12-28-23(21)14-19)5-6-20-15-25-11-9-22(20)24(26)27;25-23(26)21-10-12-24-15-17(21)7-6-16-11-13-27-22-14-19(8-9-20(16)22)28-18-4-2-1-3-5-18;23-21(24)19-5-8-22-12-16(19)2-1-14-7-10-26-20-11-15(3-4-18(14)20)17-6-9-25-13-17;1-12-9-17-14(6-8-23-18(17)10-13(12)2)3-4-15-11-20-7-5-16(15)19(21)22/h3-9,11,13-14,16H,1-2,10,12H2,(H,29,30);2,4,7,10-15,17H,3,5-6,8-9H2,1H3,(H,27,28);2-5,8-10,12,14-15,18H,6-7,11,13H2,1H3,(H,26,27);2-4,7-9,11,13-15,17H,5-6,10,12H2,1H3,(H,26,27);1-5,8-10,12,14-16H,6-7,11,13H2,(H,25,26);3-6,8-9,11-14H,1-2,7,10H2,(H,23,24);5,7,9-11,14H,3-4,6,8H2,1-2H3,(H,21,22)
InChIKeySLEWFMZTBXEWPL-UHFFFAOYSA-N
MW2598.98 g/mol
LogP35.31
Rot. Bonds36

About 3-[2-(6,7-dimethyl-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-(furan-3-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-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-(7-phenoxy-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid

3-[2-(6,7-dimethyl-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-(furan-3-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-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-(7-phenoxy-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid (PubChem CID 160866651) has the molecular formula C159H151F3N8O23 and a molecular weight of 2598.98 g/mol. Its IUPAC name is 3-[2-(6,7-dimethyl-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-(furan-3-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-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-(7-phenoxy-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-(6,7-dimethyl-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-(furan-3-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-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-(7-phenoxy-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid
PubChem CID160866651
Molecular FormulaC159H151F3N8O23
Molecular Weight2598.98 g/mol
Exact Mass2597.08
IUPAC Name3-[2-(6,7-dimethyl-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-(furan-3-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-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-(7-phenoxy-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid
SMILESCc1cc2c(cc1C)C(CCc1cnccc1C(=O)O)CCO2.Cc1ccc(-c2ccc3c(c2)OCCC3CCc2cnccc2C(=O)O)cc1.Cc1cccc(-c2ccc3c(c2)OCCC3CCc2cnccc2C(=O)O)c1.Cc1cccc(Oc2ccc3c(c2)CCCC3CCc2cnccc2C(=O)O)n1.O=C(O)c1ccncc1CCC1CCOc2cc(-c3ccc(C(F)(F)F)cc3)ccc21.O=C(O)c1ccncc1CCC1CCOc2cc(-c3ccoc3)ccc21.O=C(O)c1ccncc1CCC1CCOc2cc(Oc3ccccc3)ccc21
InChIInChI=1S/C24H20F3NO3.C24H24N2O3.2C24H23NO3.C23H21NO4.C21H19NO4.C19H21NO3/c25-24(26,27)19-6-3-15(4-7-19)17-5-8-20-16(10-12-31-22(20)13-17)1-2-18-14-28-11-9-21(18)23(29)30;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;1-16-2-4-17(5-3-16)19-8-9-21-18(11-13-28-23(21)14-19)6-7-20-15-25-12-10-22(20)24(26)27;1-16-3-2-4-18(13-16)19-7-8-21-17(10-12-28-23(21)14-19)5-6-20-15-25-11-9-22(20)24(26)27;25-23(26)21-10-12-24-15-17(21)7-6-16-11-13-27-22-14-19(8-9-20(16)22)28-18-4-2-1-3-5-18;23-21(24)19-5-8-22-12-16(19)2-1-14-7-10-26-20-11-15(3-4-18(14)20)17-6-9-25-13-17;1-12-9-17-14(6-8-23-18(17)10-13(12)2)3-4-15-11-20-7-5-16(15)19(21)22/h3-9,11,13-14,16H,1-2,10,12H2,(H,29,30);2,4,7,10-15,17H,3,5-6,8-9H2,1H3,(H,27,28);2-5,8-10,12,14-15,18H,6-7,11,13H2,1H3,(H,26,27);2-4,7-9,11,13-15,17H,5-6,10,12H2,1H3,(H,26,27);1-5,8-10,12,14-16H,6-7,11,13H2,(H,25,26);3-6,8-9,11-14H,1-2,7,10H2,(H,23,24);5,7,9-11,14H,3-4,6,8H2,1-2H3,(H,21,22)
InChIKeySLEWFMZTBXEWPL-UHFFFAOYSA-N
XLogP35.31
TPSA451.20 Ų
H-Bond Donors7
H-Bond Acceptors24
Rotatable Bonds36
Heavy Atoms193
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002598.98
LogP ≤ 535.31
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1024

Analyze 3-[2-(6,7-dimethyl-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-(furan-3-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-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-(7-phenoxy-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

3-[2-[7-(2-chlorophenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-ethyl-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-[7-(3-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-methoxy-5-methyl-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-[6-[2-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid
CID 157187986
Ethyl 8-(3,3-dimethylbutoxy)-5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]benzo[g][1]benzofuran-3-carboxylate;ethyl 5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]-8-(2-methylpropoxy)benzo[g][1]benzofuran-3-carboxylate;ethyl 5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]-8-(3,3,3-trifluoropropoxy)benzo[g][1]benzofuran-3-carboxylate;methyl 7-[2-(3,5-dimethoxyphenyl)ethoxy]-5-hydroxy-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]benzo[g][1]benzofuran-3-carboxylate;methyl 7-[(4-fluorophenyl)methoxy]-5-hydroxy-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]benzo[g][1]benzofuran-3-carboxylate
CID 157457019
Methyl 8-(3,3-dimethylbutoxy)-5-hydroxy-2-methyl-4-[piperidin-1-yl(pyridin-4-yl)methyl]benzo[g][1]benzofuran-3-carboxylate;methyl 5-hydroxy-2-methyl-8-(2-methylpropoxy)-4-[piperidin-1-yl(pyridin-4-yl)methyl]benzo[g][1]benzofuran-3-carboxylate;methyl 5-hydroxy-2-methyl-4-[piperidin-1-yl(pyridin-4-yl)methyl]-8-(3,3,3-trifluoropropoxy)benzo[g][1]benzofuran-3-carboxylate
CID 158173073
2-(4-Cyclopropylphenoxy)-3-(4-methoxy-3-pyridinyl)pyridine;ethyl 4-[[3-(4-methoxy-3-pyridinyl)-2-pyridinyl]oxy]benzoate;2-(4-ethylphenoxy)-3-(4-methoxy-3-pyridinyl)pyridine;3-(4-methoxy-3-pyridinyl)-2-(4-methylphenoxy)pyridine;3-(4-methoxy-3-pyridinyl)-2-[4-(trifluoromethoxy)phenoxy]pyridine;2-methoxy-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-3-pyridinyl]pyridine
CID 158565670
1-[[3,5-Bis(phenylmethoxy)phenyl]methyl]-4-[1-[[3,5-bis(phenylmethoxy)phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-[(3,5-dimethoxyphenyl)methyl]-4-[1-[(3,5-dimethoxyphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-[(3,5-dimethoxyphenyl)methyl]-4-[1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium;methyl 4-[[4-[1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoate
CID 158619126
3-[2-[7-(2,3-dihydroindol-1-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2,3-dihydroindol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(3,4-dihydro-2H-quinolin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(2,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-methoxy-5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-[2-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid
CID 158846749
4-[8-[(4,4-Dimethyl-2,3-dihydrochromen-6-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;6-[8-[[5-ethoxy-4-methyl-2-(2,3,4-trifluorophenyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]pyridine-3-carboxylic acid;6-[8-[[5-ethoxy-2-(2,3,4-trifluorophenyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]pyridine-3-carboxylic acid;4-[8-[[5-(trifluoromethoxy)-2-(2,3,4-trifluorophenyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid
CID 159062073
cumene;N-[2,6-di(propan-2-yl)phenyl]-1-(2-propan-2-ylphenyl)methanimine;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;tris(1-methyl-2-propan-2-ylbenzene);bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;1,2,3,4,5-pentafluoro-6-propan-2-ylbenzene;1-phenyl-2-propan-2-ylbenzene;1-propan-2-yl-3,5-bis(trifluoromethyl)benzene;propan-2-ylcyclohexane;2-propan-2-ylfuran;(2-propan-2-ylphenyl)methanol;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene
CID 159405308
7,8-Dihydroxy-2-[3-(trifluoromethyl)-2-pyridinyl]benzo[f]chromen-1-one;8,9-dihydroxy-2-[3-(trifluoromethyl)-2-pyridinyl]benzo[f]chromen-1-one;9,10-dihydroxy-2-[3-(trifluoromethyl)-2-pyridinyl]benzo[f]chromen-1-one;9,10-dimethoxy-2-[3-(trifluoromethyl)-2-pyridinyl]benzo[f]chromen-1-one;7,8-dimethyl-2-[3-(trifluoromethyl)-2-pyridinyl]benzo[f]chromen-1-one;9-methoxy-8-methyl-2-[3-(trifluoromethyl)-2-pyridinyl]benzo[f]chromen-1-one;9-[3-(trifluoromethyl)-2-pyridinyl]-2,3-dihydrochromeno[5,6-h][1,4]benzodioxin-10-one
CID 160353731
12-Methyl-12-pyridin-2-yl-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-methyl-12-pyridin-3-yl-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-methyl-12-pyridin-4-yl-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-pyridin-2-yl-12-(trifluoromethyl)-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-pyridin-3-yl-12-(trifluoromethyl)-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone;12-pyridin-4-yl-12-(trifluoromethyl)-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone
CID 161208970
2-amino-3-pyridin-2-ylpropanoic acid;2-amino-3-pyridin-2-ylpropan-1-ol;tert-butyl N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)carbamate;N-(2-hydroxy-1-pyridin-3-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-2-ylpropanoic acid;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid
CID 161313516
3-[4-(1,1-Difluoroethyl)phenyl]-7-hydroxychromen-4-one;6-ethyl-7-methoxy-3-pyridin-2-ylchromen-4-one;7-hydroxy-3-[4-(1-methoxyethenyl)phenyl]chromen-4-one;7-hydroxy-3-(4-methylphenyl)chromen-4-one;7-hydroxy-3-(2-nitrophenyl)chromen-4-one;7-methoxy-6-methyl-3-pyridin-2-ylchromen-4-one;(7-methyl-4-oxo-3-pyridin-2-ylchromen-5-yl) acetate;[3-(4-methylphenyl)-4-oxochromen-7-yl] acetate
CID 161548921

Frequently Asked Questions

What is the IUPAC name of 3-[2-(6,7-dimethyl-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-(furan-3-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-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-(7-phenoxy-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid?
The IUPAC name of 3-[2-(6,7-dimethyl-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-(furan-3-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-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-(7-phenoxy-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid (CID 160866651) is 3-[2-(6,7-dimethyl-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-(furan-3-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-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-(7-phenoxy-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[2-(6,7-dimethyl-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-(furan-3-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-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-(7-phenoxy-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[2-(6,7-dimethyl-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-(furan-3-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-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-(7-phenoxy-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid is Cc1cc2c(cc1C)C(CCc1cnccc1C(=O)O)CCO2.Cc1ccc(-c2ccc3c(c2)OCCC3CCc2cnccc2C(=O)O)cc1.Cc1cccc(-c2ccc3c(c2)OCCC3CCc2cnccc2C(=O)O)c1.Cc1cccc(Oc2ccc3c(c2)CCCC3CCc2cnccc2C(=O)O)n1.O=C(O)c1ccncc1CCC1CCOc2cc(-c3ccc(C(F)(F)F)cc3)ccc21.O=C(O)c1ccncc1CCC1CCOc2cc(-c3ccoc3)ccc21.O=C(O)c1ccncc1CCC1CCOc2cc(Oc3ccccc3)ccc21.
What is the InChIKey of 3-[2-(6,7-dimethyl-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-(furan-3-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-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-(7-phenoxy-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid?
The InChIKey is SLEWFMZTBXEWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3NO3.C24H24N2O3.2C24H23NO3.C23H21NO4.C21H19NO4.C19H21NO3/c25-24(26,27)19-6-3-15(4-7-19)17-5-8-20-16(10-12-31-22(20)13-17)1-2-18-14-28-11-9-21(18)23(29)30;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;1-16-2-4-17(5-3-16)19-8-9-21-18(11-13-28-23(21)14-19)6-7-20-15-25-12-10-22(20)24(26)27;1-16-3-2-4-18(13-16)19-7-8-21-17(10-12-28-23(21)14-19)5-6-20-15-25-11-9-22(20)24(26)27;25-23(26)21-10-12-24-15-17(21)7-6-16-11-13-27-22-14-19(8-9-20(16)22)28-18-4-2-1-3-5-18;23-21(24)19-5-8-22-12-16(19)2-1-14-7-10-26-20-11-15(3-4-18(14)20)17-6-9-25-13-17;1-12-9-17-14(6-8-23-18(17)10-13(12)2)3-4-15-11-20-7-5-16(15)19(21)22/h3-9,11,13-14,16H,1-2,10,12H2,(H,29,30);2,4,7,10-15,17H,3,5-6,8-9H2,1H3,(H,27,28);2-5,8-10,12,14-15,18H,6-7,11,13H2,1H3,(H,26,27);2-4,7-9,11,13-15,17H,5-6,10,12H2,1H3,(H,26,27);1-5,8-10,12,14-16H,6-7,11,13H2,(H,25,26);3-6,8-9,11-14H,1-2,7,10H2,(H,23,24);5,7,9-11,14H,3-4,6,8H2,1-2H3,(H,21,22).
What are the key properties of 3-[2-(6,7-dimethyl-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-(furan-3-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-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-(7-phenoxy-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid?
3-[2-(6,7-dimethyl-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-(furan-3-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-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-(7-phenoxy-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid has a molecular weight of 2598.98 g/mol, XLogP of 35.31, 36 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(6,7-dimethyl-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-(furan-3-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-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-(7-phenoxy-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 160866651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).