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

C170H213BrCl3N7NaO17- — CID 159754959

About 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

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 (PubChem CID 159754959) has the molecular formula C170H213BrCl3N7NaO17- and a molecular weight of 2835.86 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159754959
• Molecular Formula: C170H213BrCl3N7NaO17-
• Molecular Weight: 2835.86 g/mol
• Exact Mass: 2831.42
• IUPAC Name: 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
• SMILES: C.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.CC.COC(=O)c1ccc(C(=O)Cl)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)cc3)CO1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1C1(c3ccc(C(=O)O)cn3)CC1)C(C)(C)CCC2(C)C.Cc1ccc2c(c1)C(C)(C)CCC2(C)C.ClCCl.[Br-].[NH2-].[Na+]
• InChI: InChI=1S/C25H31NO2.2C24H29NO2.C24H28O3.C23H27NO3.C23H27NO2.C15H22.C8H6ClNO3.C2H6.CH2Cl2.CH4.BrH.H2N.Na/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;1-15-12-19-20(23(4,5)11-10-22(19,2)3)13-18(15)24(14-27-24)17-8-6-16(7-9-17)21(25)26;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;1-13-8(12)5-2-3-6(7(9)11)10-4-5;1-2;2-1-3;;;;/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;6-9,12-13H,10-11,14H2,1-5H3,(H,25,26);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;2-4H,1H3;1-2H3;1H2;1H4;1H;1H2;/q;;;;;;;;;;;;-1;+1/p-1
• InChIKey: QUEZYZDKPJHDME-UHFFFAOYSA-M
• XLogP: 35.68
• TPSA: 374.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 20
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2835.86
LogP ≤ 5	35.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is C.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.CC.COC(=O)c1ccc(C(=O)Cl)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)cc3)CO1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1C1(c3ccc(C(=O)O)cn3)CC1)C(C)(C)CCC2(C)C.Cc1ccc2c(c1)C(C)(C)CCC2(C)C.ClCCl.[Br-].[NH2-].[Na+].

What is the InChIKey of 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?

The InChIKey is QUEZYZDKPJHDME-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H31NO2.2C24H29NO2.C24H28O3.C23H27NO3.C23H27NO2.C15H22.C8H6ClNO3.C2H6.CH2Cl2.CH4.BrH.H2N.Na/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;1-15-12-19-20(23(4,5)11-10-22(19,2)3)13-18(15)24(14-27-24)17-8-6-16(7-9-17)21(25)26;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;1-13-8(12)5-2-3-6(7(9)11)10-4-5;1-2;2-1-3;;;;/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;6-9,12-13H,10-11,14H2,1-5H3,(H,25,26);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;2-4H,1H3;1-2H3;1H2;1H4;1H;1H2;/q;;;;;;;;;;;;-1;+1/p-1.

What are the key properties of 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?

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 has a molecular weight of 2835.86 g/mol, XLogP of 35.68, 20 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 159754959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).