2-bromo-3-ethoxypyridine;2-bromopyridin-3-ol;tert-butyl 4-(3-ethoxy-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-ethoxy-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone;3-ethoxy-2-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;iodoethane;hydrochloride

C97H112BBr2Cl3F6IN13O16 — CID 160710836

About 2-bromo-3-ethoxypyridine;2-bromopyridin-3-ol;tert-butyl 4-(3-ethoxy-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-ethoxy-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone;3-ethoxy-2-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;iodoethane;hydrochloride

2-bromo-3-ethoxypyridine;2-bromopyridin-3-ol;tert-butyl 4-(3-ethoxy-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-ethoxy-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone;3-ethoxy-2-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;iodoethane;hydrochloride (PubChem CID 160710836) has the molecular formula C97H112BBr2Cl3F6IN13O16 and a molecular weight of 2233.91 g/mol. Its IUPAC name is 2-bromo-3-ethoxypyridine;2-bromopyridin-3-ol;tert-butyl 4-(3-ethoxy-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-ethoxy-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone;3-ethoxy-2-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;iodoethane;hydrochloride.

Molecular Properties

• Compound Name: 2-bromo-3-ethoxypyridine;2-bromopyridin-3-ol;tert-butyl 4-(3-ethoxy-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-ethoxy-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone;3-ethoxy-2-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;iodoethane;hydrochloride
• PubChem CID: 160710836
• Molecular Formula: C97H112BBr2Cl3F6IN13O16
• Molecular Weight: 2233.91 g/mol
• Exact Mass: 2229.48
• IUPAC Name: 2-bromo-3-ethoxypyridine;2-bromopyridin-3-ol;tert-butyl 4-(3-ethoxy-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-ethoxy-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone;3-ethoxy-2-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;iodoethane;hydrochloride
• SMILES: CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.CCI.CCOc1cccnc1Br.CCOc1cccnc1C1=CCN(C(=O)OC(C)(C)C)CC1.CCOc1cccnc1C1=CCN(C(=O)c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)CC1.CCOc1cccnc1C1=CCNCC1.Cl.O=C(O)c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl.Oc1cccnc1Br
• InChI: InChI=1S/C25H20ClF3N4O3.C17H24N2O3.C16H28BNO4.C13H6ClF3N2O3.C12H16N2O.C7H8BrNO.C5H4BrNO.C2H5I.ClH/c1-2-36-19-4-3-8-30-20(19)15-5-9-32(10-6-15)24(34)21-22(26)33-13-17(16-7-11-35-14-16)12-18(23(33)31-21)25(27,28)29;1-5-21-14-7-6-10-18-15(14)13-8-11-19(12-9-13)16(20)22-17(2,3)4;1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17;14-10-9(12(20)21)18-11-8(13(15,16)17)3-7(4-19(10)11)6-1-2-22-5-6;1-2-15-11-4-3-7-14-12(11)10-5-8-13-9-6-10;1-2-10-6-4-3-5-9-7(6)8;6-5-4(8)2-1-3-7-5;1-2-3;/h3-5,7-8,11-14H,2,6,9-10H2,1H3;6-8,10H,5,9,11-12H2,1-4H3;8H,9-11H2,1-7H3;1-5H,(H,20,21);3-5,7,13H,2,6,8-9H2,1H3;3-5H,2H2,1H3;1-3,8H;2H2,1H3;1H
• InChIKey: IWFIYMKWTYFHQB-UHFFFAOYSA-N
• XLogP: 24.16
• TPSA: 329.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 16
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2233.91
LogP ≤ 5	24.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-ethoxypyridine;2-bromopyridin-3-ol;tert-butyl 4-(3-ethoxy-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-ethoxy-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone;3-ethoxy-2-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;iodoethane;hydrochloride?

The IUPAC name of 2-bromo-3-ethoxypyridine;2-bromopyridin-3-ol;tert-butyl 4-(3-ethoxy-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-ethoxy-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone;3-ethoxy-2-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;iodoethane;hydrochloride (CID 160710836) is 2-bromo-3-ethoxypyridine;2-bromopyridin-3-ol;tert-butyl 4-(3-ethoxy-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-ethoxy-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone;3-ethoxy-2-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;iodoethane;hydrochloride.

What is the SMILES notation for 2-bromo-3-ethoxypyridine;2-bromopyridin-3-ol;tert-butyl 4-(3-ethoxy-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-ethoxy-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone;3-ethoxy-2-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;iodoethane;hydrochloride?

The canonical SMILES for 2-bromo-3-ethoxypyridine;2-bromopyridin-3-ol;tert-butyl 4-(3-ethoxy-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-ethoxy-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone;3-ethoxy-2-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;iodoethane;hydrochloride is CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.CCI.CCOc1cccnc1Br.CCOc1cccnc1C1=CCN(C(=O)OC(C)(C)C)CC1.CCOc1cccnc1C1=CCN(C(=O)c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)CC1.CCOc1cccnc1C1=CCNCC1.Cl.O=C(O)c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl.Oc1cccnc1Br.

What is the InChIKey of 2-bromo-3-ethoxypyridine;2-bromopyridin-3-ol;tert-butyl 4-(3-ethoxy-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-ethoxy-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone;3-ethoxy-2-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;iodoethane;hydrochloride?

The InChIKey is IWFIYMKWTYFHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClF3N4O3.C17H24N2O3.C16H28BNO4.C13H6ClF3N2O3.C12H16N2O.C7H8BrNO.C5H4BrNO.C2H5I.ClH/c1-2-36-19-4-3-8-30-20(19)15-5-9-32(10-6-15)24(34)21-22(26)33-13-17(16-7-11-35-14-16)12-18(23(33)31-21)25(27,28)29;1-5-21-14-7-6-10-18-15(14)13-8-11-19(12-9-13)16(20)22-17(2,3)4;1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17;14-10-9(12(20)21)18-11-8(13(15,16)17)3-7(4-19(10)11)6-1-2-22-5-6;1-2-15-11-4-3-7-14-12(11)10-5-8-13-9-6-10;1-2-10-6-4-3-5-9-7(6)8;6-5-4(8)2-1-3-7-5;1-2-3;/h3-5,7-8,11-14H,2,6,9-10H2,1H3;6-8,10H,5,9,11-12H2,1-4H3;8H,9-11H2,1-7H3;1-5H,(H,20,21);3-5,7,13H,2,6,8-9H2,1H3;3-5H,2H2,1H3;1-3,8H;2H2,1H3;1H.

What are the key properties of 2-bromo-3-ethoxypyridine;2-bromopyridin-3-ol;tert-butyl 4-(3-ethoxy-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-ethoxy-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone;3-ethoxy-2-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;iodoethane;hydrochloride?

2-bromo-3-ethoxypyridine;2-bromopyridin-3-ol;tert-butyl 4-(3-ethoxy-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-ethoxy-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone;3-ethoxy-2-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;iodoethane;hydrochloride has a molecular weight of 2233.91 g/mol, XLogP of 24.16, 16 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-3-ethoxypyridine;2-bromopyridin-3-ol;tert-butyl 4-(3-ethoxy-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-ethoxy-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone;3-ethoxy-2-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;iodoethane;hydrochloride is sourced from PubChem (CID 160710836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).