4-bromobenzonitrile;tert-butyl 4-[4-(aminomethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[[(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]piperidine-1-carboxylate;tert-butyl 4-(4-cyanophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[1-(4-fluorobenzoyl)piperidin-4-yl]phenyl]propan-1-one;6-chloro-2-ethyl-N-[(4-piperidin-4-ylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;diiodo(iodoiodanuidyl)-λ3-iodane;4-fluorobenzoyl chloride;molecular iodine;triiodo-λ3-iodane;triiodide;hydroiodide

C149H170BBrCl5F2I15N18O15-2 — CID 159693168

About 4-bromobenzonitrile;tert-butyl 4-[4-(aminomethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[[(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]piperidine-1-carboxylate;tert-butyl 4-(4-cyanophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[1-(4-fluorobenzoyl)piperidin-4-yl]phenyl]propan-1-one;6-chloro-2-ethyl-N-[(4-piperidin-4-ylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;diiodo(iodoiodanuidyl)-λ3-iodane;4-fluorobenzoyl chloride;molecular iodine;triiodo-λ3-iodane;triiodide;hydroiodide

4-bromobenzonitrile;tert-butyl 4-[4-(aminomethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[[(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]piperidine-1-carboxylate;tert-butyl 4-(4-cyanophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[1-(4-fluorobenzoyl)piperidin-4-yl]phenyl]propan-1-one;6-chloro-2-ethyl-N-[(4-piperidin-4-ylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;diiodo(iodoiodanuidyl)-λ3-iodane;4-fluorobenzoyl chloride;molecular iodine;triiodo-λ3-iodane;triiodide;hydroiodide (PubChem CID 159693168) has the molecular formula C149H170BBrCl5F2I15N18O15-2 and a molecular weight of 4662.65 g/mol. Its IUPAC name is 4-bromobenzonitrile;tert-butyl 4-[4-(aminomethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[[(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]piperidine-1-carboxylate;tert-butyl 4-(4-cyanophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[1-(4-fluorobenzoyl)piperidin-4-yl]phenyl]propan-1-one;6-chloro-2-ethyl-N-[(4-piperidin-4-ylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;diiodo(iodoiodanuidyl)-λ3-iodane;4-fluorobenzoyl chloride;molecular iodine;triiodo-λ3-iodane;triiodide;hydroiodide.

Molecular Properties

• Compound Name: 4-bromobenzonitrile;tert-butyl 4-[4-(aminomethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[[(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]piperidine-1-carboxylate;tert-butyl 4-(4-cyanophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[1-(4-fluorobenzoyl)piperidin-4-yl]phenyl]propan-1-one;6-chloro-2-ethyl-N-[(4-piperidin-4-ylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;diiodo(iodoiodanuidyl)-λ3-iodane;4-fluorobenzoyl chloride;molecular iodine;triiodo-λ3-iodane;triiodide;hydroiodide
• PubChem CID: 159693168
• Molecular Formula: C149H170BBrCl5F2I15N18O15-2
• Molecular Weight: 4662.65 g/mol
• Exact Mass: 4657.65
• IUPAC Name: 4-bromobenzonitrile;tert-butyl 4-[4-(aminomethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[[(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]piperidine-1-carboxylate;tert-butyl 4-(4-cyanophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[1-(4-fluorobenzoyl)piperidin-4-yl]phenyl]propan-1-one;6-chloro-2-ethyl-N-[(4-piperidin-4-ylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;diiodo(iodoiodanuidyl)-λ3-iodane;4-fluorobenzoyl chloride;molecular iodine;triiodo-λ3-iodane;triiodide;hydroiodide
• SMILES: CC(C)(C)OC(=O)N1CC=C(c2ccc(C#N)cc2)CC1.CC(C)(C)OC(=O)N1CC=C(c2ccc(CN)cc2)CC1.CC1(C)OB(C2=CCCCC2)OC1(C)C.CCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc(C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(C2CCNCC2)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)O.I.II.II(I)I.I[I-]I.I[I-]I(I)I.N#Cc1ccc(Br)cc1.O=C(Cl)c1ccc(F)cc1
• InChI: InChI=1S/C30H29ClFN3O2.C27H33ClN4O3.C22H25ClN4O.C17H24N2O2.C17H20N2O2.C12H21BO2.C10H9ClN2O2.C7H4BrN.C7H4ClFO.I5.I4.I3.I2.HI/c1-2-26-29(35-19-24(31)10-14-28(35)33-26)27(36)13-5-20-3-6-21(7-4-20)22-15-17-34(18-16-22)30(37)23-8-11-25(32)12-9-23;1-5-22-24(32-17-21(28)10-11-23(32)30-22)25(33)29-16-18-6-8-19(9-7-18)20-12-14-31(15-13-20)26(34)35-27(2,3)4;1-2-19-21(27-14-18(23)7-8-20(27)26-19)22(28)25-13-15-3-5-16(6-4-15)17-9-11-24-12-10-17;2*1-17(2,3)21-16(20)19-10-8-15(9-11-19)14-6-4-13(12-18)5-7-14;1-11(2)12(3,4)15-13(14-11)10-8-6-5-7-9-10;1-2-7-9(10(14)15)13-5-6(11)3-4-8(13)12-7;8-7-3-1-6(5-9)2-4-7;8-7(10)5-1-3-6(9)4-2-5;1-4-5(2)3;1-4(2)3;1-3-2;1-2;/h3-4,6-12,14,19,22H,2,5,13,15-18H2,1H3;6-11,17,20H,5,12-16H2,1-4H3,(H,29,33);3-8,14,17,24H,2,9-13H2,1H3,(H,25,28);4-8H,9-12,18H2,1-3H3;4-8H,9-11H2,1-3H3;8H,5-7,9H2,1-4H3;3-5H,2H2,1H3,(H,14,15);1-4H;1-4H;;;;;1H/q;;;;;;;;;-1;;-1
• InChIKey: NILXQZHLKOWFLS-UHFFFAOYSA-N
• XLogP: 37.96
• TPSA: 411.86 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 25
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4662.65
LogP ≤ 5	37.96
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_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 4-bromobenzonitrile;tert-butyl 4-[4-(aminomethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[[(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]piperidine-1-carboxylate;tert-butyl 4-(4-cyanophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[1-(4-fluorobenzoyl)piperidin-4-yl]phenyl]propan-1-one;6-chloro-2-ethyl-N-[(4-piperidin-4-ylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;diiodo(iodoiodanuidyl)-λ3-iodane;4-fluorobenzoyl chloride;molecular iodine;triiodo-λ3-iodane;triiodide;hydroiodide?

The IUPAC name of 4-bromobenzonitrile;tert-butyl 4-[4-(aminomethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[[(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]piperidine-1-carboxylate;tert-butyl 4-(4-cyanophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[1-(4-fluorobenzoyl)piperidin-4-yl]phenyl]propan-1-one;6-chloro-2-ethyl-N-[(4-piperidin-4-ylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;diiodo(iodoiodanuidyl)-λ3-iodane;4-fluorobenzoyl chloride;molecular iodine;triiodo-λ3-iodane;triiodide;hydroiodide (CID 159693168) is 4-bromobenzonitrile;tert-butyl 4-[4-(aminomethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[[(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]piperidine-1-carboxylate;tert-butyl 4-(4-cyanophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[1-(4-fluorobenzoyl)piperidin-4-yl]phenyl]propan-1-one;6-chloro-2-ethyl-N-[(4-piperidin-4-ylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;diiodo(iodoiodanuidyl)-λ3-iodane;4-fluorobenzoyl chloride;molecular iodine;triiodo-λ3-iodane;triiodide;hydroiodide.

What is the SMILES notation for 4-bromobenzonitrile;tert-butyl 4-[4-(aminomethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[[(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]piperidine-1-carboxylate;tert-butyl 4-(4-cyanophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[1-(4-fluorobenzoyl)piperidin-4-yl]phenyl]propan-1-one;6-chloro-2-ethyl-N-[(4-piperidin-4-ylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;diiodo(iodoiodanuidyl)-λ3-iodane;4-fluorobenzoyl chloride;molecular iodine;triiodo-λ3-iodane;triiodide;hydroiodide?

The canonical SMILES for 4-bromobenzonitrile;tert-butyl 4-[4-(aminomethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[[(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]piperidine-1-carboxylate;tert-butyl 4-(4-cyanophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[1-(4-fluorobenzoyl)piperidin-4-yl]phenyl]propan-1-one;6-chloro-2-ethyl-N-[(4-piperidin-4-ylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;diiodo(iodoiodanuidyl)-λ3-iodane;4-fluorobenzoyl chloride;molecular iodine;triiodo-λ3-iodane;triiodide;hydroiodide is CC(C)(C)OC(=O)N1CC=C(c2ccc(C#N)cc2)CC1.CC(C)(C)OC(=O)N1CC=C(c2ccc(CN)cc2)CC1.CC1(C)OB(C2=CCCCC2)OC1(C)C.CCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc(C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(C2CCNCC2)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)O.I.II.II(I)I.I[I-]I.I[I-]I(I)I.N#Cc1ccc(Br)cc1.O=C(Cl)c1ccc(F)cc1.

What is the InChIKey of 4-bromobenzonitrile;tert-butyl 4-[4-(aminomethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[[(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]piperidine-1-carboxylate;tert-butyl 4-(4-cyanophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[1-(4-fluorobenzoyl)piperidin-4-yl]phenyl]propan-1-one;6-chloro-2-ethyl-N-[(4-piperidin-4-ylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;diiodo(iodoiodanuidyl)-λ3-iodane;4-fluorobenzoyl chloride;molecular iodine;triiodo-λ3-iodane;triiodide;hydroiodide?

The InChIKey is NILXQZHLKOWFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29ClFN3O2.C27H33ClN4O3.C22H25ClN4O.C17H24N2O2.C17H20N2O2.C12H21BO2.C10H9ClN2O2.C7H4BrN.C7H4ClFO.I5.I4.I3.I2.HI/c1-2-26-29(35-19-24(31)10-14-28(35)33-26)27(36)13-5-20-3-6-21(7-4-20)22-15-17-34(18-16-22)30(37)23-8-11-25(32)12-9-23;1-5-22-24(32-17-21(28)10-11-23(32)30-22)25(33)29-16-18-6-8-19(9-7-18)20-12-14-31(15-13-20)26(34)35-27(2,3)4;1-2-19-21(27-14-18(23)7-8-20(27)26-19)22(28)25-13-15-3-5-16(6-4-15)17-9-11-24-12-10-17;2*1-17(2,3)21-16(20)19-10-8-15(9-11-19)14-6-4-13(12-18)5-7-14;1-11(2)12(3,4)15-13(14-11)10-8-6-5-7-9-10;1-2-7-9(10(14)15)13-5-6(11)3-4-8(13)12-7;8-7-3-1-6(5-9)2-4-7;8-7(10)5-1-3-6(9)4-2-5;1-4-5(2)3;1-4(2)3;1-3-2;1-2;/h3-4,6-12,14,19,22H,2,5,13,15-18H2,1H3;6-11,17,20H,5,12-16H2,1-4H3,(H,29,33);3-8,14,17,24H,2,9-13H2,1H3,(H,25,28);4-8H,9-12,18H2,1-3H3;4-8H,9-11H2,1-3H3;8H,5-7,9H2,1-4H3;3-5H,2H2,1H3,(H,14,15);1-4H;1-4H;;;;;1H/q;;;;;;;;;-1;;-1;;.

What are the key properties of 4-bromobenzonitrile;tert-butyl 4-[4-(aminomethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[[(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]piperidine-1-carboxylate;tert-butyl 4-(4-cyanophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[1-(4-fluorobenzoyl)piperidin-4-yl]phenyl]propan-1-one;6-chloro-2-ethyl-N-[(4-piperidin-4-ylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;diiodo(iodoiodanuidyl)-λ3-iodane;4-fluorobenzoyl chloride;molecular iodine;triiodo-λ3-iodane;triiodide;hydroiodide?

4-bromobenzonitrile;tert-butyl 4-[4-(aminomethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[[(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]piperidine-1-carboxylate;tert-butyl 4-(4-cyanophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[1-(4-fluorobenzoyl)piperidin-4-yl]phenyl]propan-1-one;6-chloro-2-ethyl-N-[(4-piperidin-4-ylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;diiodo(iodoiodanuidyl)-λ3-iodane;4-fluorobenzoyl chloride;molecular iodine;triiodo-λ3-iodane;triiodide;hydroiodide has a molecular weight of 4662.65 g/mol, XLogP of 37.96, 25 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromobenzonitrile;tert-butyl 4-[4-(aminomethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[[(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]piperidine-1-carboxylate;tert-butyl 4-(4-cyanophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[1-(4-fluorobenzoyl)piperidin-4-yl]phenyl]propan-1-one;6-chloro-2-ethyl-N-[(4-piperidin-4-ylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;diiodo(iodoiodanuidyl)-λ3-iodane;4-fluorobenzoyl chloride;molecular iodine;triiodo-λ3-iodane;triiodide;hydroiodide is sourced from PubChem (CID 159693168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).