5-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-carbonochloridoylpyridine-3-carboxylate;methyl 6-(2-hydroxyacetyl)pyridine-3-carboxylate;methyl 6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyridine-3-carboxylate;methyl 6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine-3-carboxylate;methyl 6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyridine-3-carboxylate;1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene;6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine-3-carboxylic acid;6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyridine-3-carboxylic acid;thionyl dichloride;trichloroalumane

C159H187AlCl6N8O23S — CID 160918053

IUPAC5-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-carbonochloridoylpyridine-3-carboxylate;methyl 6-(2-hydroxyacetyl)pyridine-3-carboxylate;methyl 6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyridine-3-carboxylate;methyl 6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine-3-carboxylate;methyl 6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyridine-3-carboxylate;1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene;6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine-3-carboxylic acid;6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyridine-3-carboxylic acid;thionyl dichloride;trichloroalumane
SMILESC=C(c1ccc(C(=O)O)cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.C=C(c1ccc(C(=O)OC)cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.COC(=O)c1ccc(C(=O)CO)nc1.COC(=O)c1ccc(C(=O)Cl)nc1.COC(=O)c1ccc(C(=O)O)nc1.COC(=O)c1ccc(C(=O)c2cc3c(cc2C)C(C)(C)CCC3(C)C)nc1.COC(=O)c1ccc(C2(c3cc4c(cc3C)C(C)(C)CCC4(C)C)CC2)nc1.Cc1cc2c(cc1C1(c3ccc(C(=O)O)cn3)CC1)C(C)(C)CCC2(C)C.Cc1ccc2c(c1)C(C)(C)CCC2(C)C.Cl[Al](Cl)Cl.O=S(Cl)Cl
InChIInChI=1S/C25H31NO2.2C24H29NO2.C23H27NO3.C23H27NO2.C15H22.C9H9NO4.C8H6ClNO3.C8H7NO4.Al.Cl2OS.3ClH/c1-16-13-19-20(24(4,5)10-9-23(19,2)3)14-18(16)25(11-12-25)21-8-7-17(15-26-21)22(27)28-6;1-15-12-18-19(23(4,5)9-8-22(18,2)3)13-17(15)24(10-11-24)20-7-6-16(14-25-20)21(26)27;1-15-12-19-20(24(5,6)11-10-23(19,3)4)13-18(15)16(2)21-9-8-17(14-25-21)22(26)27-7;1-14-11-17-18(23(4,5)10-9-22(17,2)3)12-16(14)20(25)19-8-7-15(13-24-19)21(26)27-6;1-14-11-18-19(23(5,6)10-9-22(18,3)4)12-17(14)15(2)20-8-7-16(13-24-20)21(25)26;1-11-6-7-12-13(10-11)15(4,5)9-8-14(12,2)3;1-14-9(13)6-2-3-7(10-4-6)8(12)5-11;1-13-8(12)5-2-3-6(7(9)11)10-4-5;1-13-8(12)5-2-3-6(7(10)11)9-4-5;;1-4(2)3;;;/h7-8,13-15H,9-12H2,1-6H3;6-7,12-14H,8-11H2,1-5H3,(H,26,27);8-9,12-14H,2,10-11H2,1,3-7H3;7-8,11-13H,9-10H2,1-6H3;7-8,11-13H,2,9-10H2,1,3-6H3,(H,25,26);6-7,10H,8-9H2,1-5H3;2-4,11H,5H2,1H3;2-4H,1H3;2-4H,1H3,(H,10,11);;;3*1H/q;;;;;;;;;+3;;;;/p-3
InChIKeySRQZAQUPVSUNNH-UHFFFAOYSA-K
MW2850.04 g/mol
LogP35.90
Rot. Bonds22

About 5-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-carbonochloridoylpyridine-3-carboxylate;methyl 6-(2-hydroxyacetyl)pyridine-3-carboxylate;methyl 6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyridine-3-carboxylate;methyl 6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine-3-carboxylate;methyl 6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyridine-3-carboxylate;1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene;6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine-3-carboxylic acid;6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyridine-3-carboxylic acid;thionyl dichloride;trichloroalumane

5-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-carbonochloridoylpyridine-3-carboxylate;methyl 6-(2-hydroxyacetyl)pyridine-3-carboxylate;methyl 6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyridine-3-carboxylate;methyl 6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine-3-carboxylate;methyl 6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyridine-3-carboxylate;1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene;6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine-3-carboxylic acid;6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyridine-3-carboxylic acid;thionyl dichloride;trichloroalumane (PubChem CID 160918053) has the molecular formula C159H187AlCl6N8O23S and a molecular weight of 2850.04 g/mol. Its IUPAC name is 5-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-carbonochloridoylpyridine-3-carboxylate;methyl 6-(2-hydroxyacetyl)pyridine-3-carboxylate;methyl 6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyridine-3-carboxylate;methyl 6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine-3-carboxylate;methyl 6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyridine-3-carboxylate;1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene;6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine-3-carboxylic acid;6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyridine-3-carboxylic acid;thionyl dichloride;trichloroalumane.

Molecular Properties

Compound Name5-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-carbonochloridoylpyridine-3-carboxylate;methyl 6-(2-hydroxyacetyl)pyridine-3-carboxylate;methyl 6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyridine-3-carboxylate;methyl 6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine-3-carboxylate;methyl 6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyridine-3-carboxylate;1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene;6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine-3-carboxylic acid;6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyridine-3-carboxylic acid;thionyl dichloride;trichloroalumane
PubChem CID160918053
Molecular FormulaC159H187AlCl6N8O23S
Molecular Weight2850.04 g/mol
Exact Mass2845.14
IUPAC Name5-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-carbonochloridoylpyridine-3-carboxylate;methyl 6-(2-hydroxyacetyl)pyridine-3-carboxylate;methyl 6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyridine-3-carboxylate;methyl 6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine-3-carboxylate;methyl 6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyridine-3-carboxylate;1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene;6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine-3-carboxylic acid;6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyridine-3-carboxylic acid;thionyl dichloride;trichloroalumane
SMILESC=C(c1ccc(C(=O)O)cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.C=C(c1ccc(C(=O)OC)cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.COC(=O)c1ccc(C(=O)CO)nc1.COC(=O)c1ccc(C(=O)Cl)nc1.COC(=O)c1ccc(C(=O)O)nc1.COC(=O)c1ccc(C(=O)c2cc3c(cc2C)C(C)(C)CCC3(C)C)nc1.COC(=O)c1ccc(C2(c3cc4c(cc3C)C(C)(C)CCC4(C)C)CC2)nc1.Cc1cc2c(cc1C1(c3ccc(C(=O)O)cn3)CC1)C(C)(C)CCC2(C)C.Cc1ccc2c(c1)C(C)(C)CCC2(C)C.Cl[Al](Cl)Cl.O=S(Cl)Cl
InChIInChI=1S/C25H31NO2.2C24H29NO2.C23H27NO3.C23H27NO2.C15H22.C9H9NO4.C8H6ClNO3.C8H7NO4.Al.Cl2OS.3ClH/c1-16-13-19-20(24(4,5)10-9-23(19,2)3)14-18(16)25(11-12-25)21-8-7-17(15-26-21)22(27)28-6;1-15-12-18-19(23(4,5)9-8-22(18,2)3)13-17(15)24(10-11-24)20-7-6-16(14-25-20)21(26)27;1-15-12-19-20(24(5,6)11-10-23(19,3)4)13-18(15)16(2)21-9-8-17(14-25-21)22(26)27-7;1-14-11-17-18(23(4,5)10-9-22(17,2)3)12-16(14)20(25)19-8-7-15(13-24-19)21(26)27-6;1-14-11-18-19(23(5,6)10-9-22(18,3)4)12-17(14)15(2)20-8-7-16(13-24-20)21(25)26;1-11-6-7-12-13(10-11)15(4,5)9-8-14(12,2)3;1-14-9(13)6-2-3-7(10-4-6)8(12)5-11;1-13-8(12)5-2-3-6(7(9)11)10-4-5;1-13-8(12)5-2-3-6(7(10)11)9-4-5;;1-4(2)3;;;/h7-8,13-15H,9-12H2,1-6H3;6-7,12-14H,8-11H2,1-5H3,(H,26,27);8-9,12-14H,2,10-11H2,1,3-7H3;7-8,11-13H,9-10H2,1-6H3;7-8,11-13H,2,9-10H2,1,3-6H3,(H,25,26);6-7,10H,8-9H2,1-5H3;2-4,11H,5H2,1H3;2-4H,1H3;2-4H,1H3,(H,10,11);;;3*1H/q;;;;;;;;;+3;;;;/p-3
InChIKeySRQZAQUPVSUNNH-UHFFFAOYSA-K
XLogP35.90
TPSA461.33 Ų
H-Bond Donors4
H-Bond Acceptors28
Rotatable Bonds22
Heavy Atoms198
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002850.04
LogP ≤ 535.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}

Analyze 5-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-carbonochloridoylpyridine-3-carboxylate;methyl 6-(2-hydroxyacetyl)pyridine-3-carboxylate;methyl 6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyridine-3-carboxylate;methyl 6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine-3-carboxylate;methyl 6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyridine-3-carboxylate;1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene;6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine-3-carboxylic acid;6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyridine-3-carboxylic acid;thionyl dichloride;trichloroalumane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Methoxycarbonylpyrimidine-2-carboxylic acid;methyl 2-carbonochloridoylpyrimidine-5-carboxylate;methyl 6-(2-hydroxyacetyl)pyridine-3-carboxylate;methyl 2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyrimidine-5-carboxylate;methyl 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyrimidine-5-carboxylate;methyl 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyrimidine-5-carboxylate;1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyrimidine-5-carboxylic acid;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyrimidine-5-carboxylic acid;pyrimidine-2,5-dicarboxylic acid;thionyl dichloride;trichloroalumane
CID 157276848
Potassium;6-chloro-3-methylpyridine-2-carboxylate;ethyl 6-chloro-3-methylpyridine-2-carboxylate;ethyl 3-methyl-1-oxidopyridin-1-ium-2-carboxylate;ethyl 3-methylpyridine-2-carboxylate;3-[2-[6-[3-(hydroxymethyl)phenyl]-3-methyl-2-pyridinyl]-2-oxoethyl]-2,4-dimethylbenzoic acid;methyl 3-[2-(6-chloro-3-methyl-2-pyridinyl)-2-oxoethyl]-2,4-dimethylbenzoate;methyl 3-[2-[6-[3-(hydroxymethyl)phenyl]-3-methyl-2-pyridinyl]-2-oxoethyl]-2,4-dimethylbenzoate;3-methylpyridine-2-carboxylic acid
CID 157283628
5-Methyl-2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine;2-methyl-5-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyridine;5-methyl-2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyridine;5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyridine-2-carboxylic acid;6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine-3-carboxylic acid;5-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyridine-2-carboxylic acid;6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyridine-3-carboxylic acid
CID 157664995
Carbon dioxide;chloro 6-(formyloxymethyl)pyridine-3-carboxylate;6-(formyloxymethyl)pyridine-3-carboxylic acid;methyl 5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyridine-2-carboxylate;1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene;pyridine-3-carboxylic acid;thionyl dichloride;trichloroalumane
CID 158320081
5-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-carbonochloridoylpyridine-3-carboxylate;methyl 6-(2-hydroxyacetyl)pyridine-3-carboxylate;methyl 6-(1,1,4,4,7-pentamethyl-3H-isochromene-6-carbonyl)pyridine-3-carboxylate;methyl 6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)cyclopropyl]pyridine-3-carboxylate;methyl 6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]pyridine-3-carboxylate;1,1,4,4,7-pentamethyl-3H-isochromene;6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)cyclopropyl]pyridine-3-carboxylic acid;6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]pyridine-3-carboxylic acid;thionyl dichloride;trichloroalumane
CID 158523949
Sodium;azanide;dichloromethane;ethane;methane;methyl 6-carbonochloridoylpyridine-3-carboxylate;methyl 6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyridine-3-carboxylate;methyl 6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine-3-carboxylate;methyl 6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyridine-3-carboxylate;1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene;6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine-3-carboxylic acid;6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyridine-3-carboxylic acid;4-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxiran-2-yl]benzoic acid;bromide
CID 159754959
Potassium;6-chloro-3-methylpyridine-2-carboxylate;ethyl 6-chloro-3-methylpyridine-2-carboxylate;ethyl 1-hydroxy-3-methylpyridin-1-ium-2-carboxylate;ethyl 3-methylpyridine-2-carboxylate;3-[2-[6-[3-(hydroxymethyl)phenyl]-3-methyl-2-pyridinyl]-2-oxoethyl]-2,4-dimethylbenzoic acid;methyl 3-[2-(6-chloro-3-methyl-2-pyridinyl)-2-oxoethyl]-2,4-dimethylbenzoate;methyl 3-[2-[6-[3-(hydroxymethyl)phenyl]-3-methyl-2-pyridinyl]-2-oxoethyl]-2,4-dimethylbenzoate;3-methylpyridine-2-carboxylic acid
CID 159942113
6-[2-(3-Hexyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)oxyethyl]pyridine-3-carboxylic acid;5-[2-(5,5,8,8-tetramethyl-3-pentyl-6,7-dihydronaphthalene-2-carbonyl)oxyethyl]pyridine-2-carboxylic acid;6-[2-(5,5,8,8-tetramethyl-3-pentyl-6,7-dihydronaphthalene-2-carbonyl)oxyethyl]pyridine-3-carboxylic acid
CID 161202077
Methyl 6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine-3-carboxylate;2-methyl-5-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyridine;5-methyl-2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyridine;5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyridine-2-carboxylic acid;6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine-3-carboxylic acid;5-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyridine-2-carboxylic acid;6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyridine-3-carboxylic acid
CID 161629665

Frequently Asked Questions

What is the IUPAC name of 5-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-carbonochloridoylpyridine-3-carboxylate;methyl 6-(2-hydroxyacetyl)pyridine-3-carboxylate;methyl 6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyridine-3-carboxylate;methyl 6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine-3-carboxylate;methyl 6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyridine-3-carboxylate;1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene;6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine-3-carboxylic acid;6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyridine-3-carboxylic acid;thionyl dichloride;trichloroalumane?
The IUPAC name of 5-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-carbonochloridoylpyridine-3-carboxylate;methyl 6-(2-hydroxyacetyl)pyridine-3-carboxylate;methyl 6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyridine-3-carboxylate;methyl 6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine-3-carboxylate;methyl 6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyridine-3-carboxylate;1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene;6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine-3-carboxylic acid;6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyridine-3-carboxylic acid;thionyl dichloride;trichloroalumane (CID 160918053) is 5-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-carbonochloridoylpyridine-3-carboxylate;methyl 6-(2-hydroxyacetyl)pyridine-3-carboxylate;methyl 6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyridine-3-carboxylate;methyl 6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine-3-carboxylate;methyl 6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyridine-3-carboxylate;1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene;6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine-3-carboxylic acid;6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyridine-3-carboxylic acid;thionyl dichloride;trichloroalumane.
What is the SMILES notation for 5-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-carbonochloridoylpyridine-3-carboxylate;methyl 6-(2-hydroxyacetyl)pyridine-3-carboxylate;methyl 6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyridine-3-carboxylate;methyl 6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine-3-carboxylate;methyl 6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyridine-3-carboxylate;1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene;6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine-3-carboxylic acid;6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyridine-3-carboxylic acid;thionyl dichloride;trichloroalumane?
The canonical SMILES for 5-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-carbonochloridoylpyridine-3-carboxylate;methyl 6-(2-hydroxyacetyl)pyridine-3-carboxylate;methyl 6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyridine-3-carboxylate;methyl 6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine-3-carboxylate;methyl 6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyridine-3-carboxylate;1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene;6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine-3-carboxylic acid;6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyridine-3-carboxylic acid;thionyl dichloride;trichloroalumane is C=C(c1ccc(C(=O)O)cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.C=C(c1ccc(C(=O)OC)cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.COC(=O)c1ccc(C(=O)CO)nc1.COC(=O)c1ccc(C(=O)Cl)nc1.COC(=O)c1ccc(C(=O)O)nc1.COC(=O)c1ccc(C(=O)c2cc3c(cc2C)C(C)(C)CCC3(C)C)nc1.COC(=O)c1ccc(C2(c3cc4c(cc3C)C(C)(C)CCC4(C)C)CC2)nc1.Cc1cc2c(cc1C1(c3ccc(C(=O)O)cn3)CC1)C(C)(C)CCC2(C)C.Cc1ccc2c(c1)C(C)(C)CCC2(C)C.Cl[Al](Cl)Cl.O=S(Cl)Cl.
What is the InChIKey of 5-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-carbonochloridoylpyridine-3-carboxylate;methyl 6-(2-hydroxyacetyl)pyridine-3-carboxylate;methyl 6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyridine-3-carboxylate;methyl 6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine-3-carboxylate;methyl 6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyridine-3-carboxylate;1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene;6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine-3-carboxylic acid;6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyridine-3-carboxylic acid;thionyl dichloride;trichloroalumane?
The InChIKey is SRQZAQUPVSUNNH-UHFFFAOYSA-K. The full InChI is InChI=1S/C25H31NO2.2C24H29NO2.C23H27NO3.C23H27NO2.C15H22.C9H9NO4.C8H6ClNO3.C8H7NO4.Al.Cl2OS.3ClH/c1-16-13-19-20(24(4,5)10-9-23(19,2)3)14-18(16)25(11-12-25)21-8-7-17(15-26-21)22(27)28-6;1-15-12-18-19(23(4,5)9-8-22(18,2)3)13-17(15)24(10-11-24)20-7-6-16(14-25-20)21(26)27;1-15-12-19-20(24(5,6)11-10-23(19,3)4)13-18(15)16(2)21-9-8-17(14-25-21)22(26)27-7;1-14-11-17-18(23(4,5)10-9-22(17,2)3)12-16(14)20(25)19-8-7-15(13-24-19)21(26)27-6;1-14-11-18-19(23(5,6)10-9-22(18,3)4)12-17(14)15(2)20-8-7-16(13-24-20)21(25)26;1-11-6-7-12-13(10-11)15(4,5)9-8-14(12,2)3;1-14-9(13)6-2-3-7(10-4-6)8(12)5-11;1-13-8(12)5-2-3-6(7(9)11)10-4-5;1-13-8(12)5-2-3-6(7(10)11)9-4-5;;1-4(2)3;;;/h7-8,13-15H,9-12H2,1-6H3;6-7,12-14H,8-11H2,1-5H3,(H,26,27);8-9,12-14H,2,10-11H2,1,3-7H3;7-8,11-13H,9-10H2,1-6H3;7-8,11-13H,2,9-10H2,1,3-6H3,(H,25,26);6-7,10H,8-9H2,1-5H3;2-4,11H,5H2,1H3;2-4H,1H3;2-4H,1H3,(H,10,11);;;3*1H/q;;;;;;;;;+3;;;;/p-3.
What are the key properties of 5-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-carbonochloridoylpyridine-3-carboxylate;methyl 6-(2-hydroxyacetyl)pyridine-3-carboxylate;methyl 6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyridine-3-carboxylate;methyl 6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine-3-carboxylate;methyl 6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyridine-3-carboxylate;1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene;6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine-3-carboxylic acid;6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyridine-3-carboxylic acid;thionyl dichloride;trichloroalumane?
5-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-carbonochloridoylpyridine-3-carboxylate;methyl 6-(2-hydroxyacetyl)pyridine-3-carboxylate;methyl 6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyridine-3-carboxylate;methyl 6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine-3-carboxylate;methyl 6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyridine-3-carboxylate;1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene;6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine-3-carboxylic acid;6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyridine-3-carboxylic acid;thionyl dichloride;trichloroalumane has a molecular weight of 2850.04 g/mol, XLogP of 35.90, 22 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-carbonochloridoylpyridine-3-carboxylate;methyl 6-(2-hydroxyacetyl)pyridine-3-carboxylate;methyl 6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyridine-3-carboxylate;methyl 6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine-3-carboxylate;methyl 6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyridine-3-carboxylate;1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene;6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine-3-carboxylic acid;6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyridine-3-carboxylic acid;thionyl dichloride;trichloroalumane is sourced from PubChem (CID 160918053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).