2-bromo-5-chloropyridin-3-amine;tert-butyl 6-chloro-3-(cyanomethyl)pyrrolo[3,2-b]pyridine-1-carboxylate;tert-butyl 6-chloro-3-(2-cyanopropan-2-yl)pyrrolo[3,2-b]pyridine-1-carboxylate;6-chloro-1H-pyrrolo[3,2-b]pyridine;2-(6-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)acetonitrile;1-(6-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)-N,N-dimethylmethanamine;(6-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)methyl-trimethylazanium;5-chloro-2-(2-trimethylsilylethynyl)pyridin-3-amine;ethynyl(trimethyl)silane;methane;iodide

C88H101BrCl8IN21O4Si2 — CID 159019502

About 2-bromo-5-chloropyridin-3-amine;tert-butyl 6-chloro-3-(cyanomethyl)pyrrolo[3,2-b]pyridine-1-carboxylate;tert-butyl 6-chloro-3-(2-cyanopropan-2-yl)pyrrolo[3,2-b]pyridine-1-carboxylate;6-chloro-1H-pyrrolo[3,2-b]pyridine;2-(6-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)acetonitrile;1-(6-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)-N,N-dimethylmethanamine;(6-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)methyl-trimethylazanium;5-chloro-2-(2-trimethylsilylethynyl)pyridin-3-amine;ethynyl(trimethyl)silane;methane;iodide

2-bromo-5-chloropyridin-3-amine;tert-butyl 6-chloro-3-(cyanomethyl)pyrrolo[3,2-b]pyridine-1-carboxylate;tert-butyl 6-chloro-3-(2-cyanopropan-2-yl)pyrrolo[3,2-b]pyridine-1-carboxylate;6-chloro-1H-pyrrolo[3,2-b]pyridine;2-(6-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)acetonitrile;1-(6-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)-N,N-dimethylmethanamine;(6-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)methyl-trimethylazanium;5-chloro-2-(2-trimethylsilylethynyl)pyridin-3-amine;ethynyl(trimethyl)silane;methane;iodide (PubChem CID 159019502) has the molecular formula C88H101BrCl8IN21O4Si2 and a molecular weight of 2063.52 g/mol. Its IUPAC name is 2-bromo-5-chloropyridin-3-amine;tert-butyl 6-chloro-3-(cyanomethyl)pyrrolo[3,2-b]pyridine-1-carboxylate;tert-butyl 6-chloro-3-(2-cyanopropan-2-yl)pyrrolo[3,2-b]pyridine-1-carboxylate;6-chloro-1H-pyrrolo[3,2-b]pyridine;2-(6-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)acetonitrile;1-(6-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)-N,N-dimethylmethanamine;(6-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)methyl-trimethylazanium;5-chloro-2-(2-trimethylsilylethynyl)pyridin-3-amine;ethynyl(trimethyl)silane;methane;iodide.

Molecular Properties

• Compound Name: 2-bromo-5-chloropyridin-3-amine;tert-butyl 6-chloro-3-(cyanomethyl)pyrrolo[3,2-b]pyridine-1-carboxylate;tert-butyl 6-chloro-3-(2-cyanopropan-2-yl)pyrrolo[3,2-b]pyridine-1-carboxylate;6-chloro-1H-pyrrolo[3,2-b]pyridine;2-(6-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)acetonitrile;1-(6-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)-N,N-dimethylmethanamine;(6-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)methyl-trimethylazanium;5-chloro-2-(2-trimethylsilylethynyl)pyridin-3-amine;ethynyl(trimethyl)silane;methane;iodide
• PubChem CID: 159019502
• Molecular Formula: C88H101BrCl8IN21O4Si2
• Molecular Weight: 2063.52 g/mol
• Exact Mass: 2057.36
• IUPAC Name: 2-bromo-5-chloropyridin-3-amine;tert-butyl 6-chloro-3-(cyanomethyl)pyrrolo[3,2-b]pyridine-1-carboxylate;tert-butyl 6-chloro-3-(2-cyanopropan-2-yl)pyrrolo[3,2-b]pyridine-1-carboxylate;6-chloro-1H-pyrrolo[3,2-b]pyridine;2-(6-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)acetonitrile;1-(6-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)-N,N-dimethylmethanamine;(6-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)methyl-trimethylazanium;5-chloro-2-(2-trimethylsilylethynyl)pyridin-3-amine;ethynyl(trimethyl)silane;methane;iodide
• SMILES: C.C#C[Si](C)(C)C.CC(C)(C)OC(=O)n1cc(C(C)(C)C#N)c2ncc(Cl)cc21.CC(C)(C)OC(=O)n1cc(CC#N)c2ncc(Cl)cc21.CN(C)Cc1c[nH]c2cc(Cl)cnc12.C[N+](C)(C)Cc1c[nH]c2cc(Cl)cnc12.C[Si](C)(C)C#Cc1ncc(Cl)cc1N.Clc1cnc2cc[nH]c2c1.N#CCc1c[nH]c2cc(Cl)cnc12.Nc1cc(Cl)cnc1Br.[I-]
• InChI: InChI=1S/C16H18ClN3O2.C14H14ClN3O2.C11H15ClN3.C10H12ClN3.C10H13ClN2Si.C9H6ClN3.C7H5ClN2.C5H4BrClN2.C5H10Si.CH4.HI/c1-15(2,3)22-14(21)20-8-11(16(4,5)9-18)13-12(20)6-10(17)7-19-13;1-14(2,3)20-13(19)18-8-9(4-5-16)12-11(18)6-10(15)7-17-12;1-15(2,3)7-8-5-13-10-4-9(12)6-14-11(8)10;1-14(2)6-7-4-12-9-3-8(11)5-13-10(7)9;1-14(2,3)5-4-10-9(12)6-8(11)7-13-10;10-7-3-8-9(13-5-7)6(1-2-11)4-12-8;8-5-3-7-6(10-4-5)1-2-9-7;6-5-4(8)1-3(7)2-9-5;1-5-6(2,3)4;;/h6-8H,1-5H3;6-8H,4H2,1-3H3;4-6,13H,7H2,1-3H3;3-5,12H,6H2,1-2H3;6-7H,12H2,1-3H3;3-5,12H,1H2;1-4,9H;1-2H,8H2;1H,2-4H3;1H4;1H/q;;+1;;;;;;;;/p-1
• InChIKey: MVPSSFLWORPNMG-UHFFFAOYSA-M
• XLogP: 20.78
• TPSA: 355.39 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 7
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2063.52
LogP ≤ 5	20.78
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloropyridin-3-amine;tert-butyl 6-chloro-3-(cyanomethyl)pyrrolo[3,2-b]pyridine-1-carboxylate;tert-butyl 6-chloro-3-(2-cyanopropan-2-yl)pyrrolo[3,2-b]pyridine-1-carboxylate;6-chloro-1H-pyrrolo[3,2-b]pyridine;2-(6-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)acetonitrile;1-(6-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)-N,N-dimethylmethanamine;(6-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)methyl-trimethylazanium;5-chloro-2-(2-trimethylsilylethynyl)pyridin-3-amine;ethynyl(trimethyl)silane;methane;iodide?

The IUPAC name of 2-bromo-5-chloropyridin-3-amine;tert-butyl 6-chloro-3-(cyanomethyl)pyrrolo[3,2-b]pyridine-1-carboxylate;tert-butyl 6-chloro-3-(2-cyanopropan-2-yl)pyrrolo[3,2-b]pyridine-1-carboxylate;6-chloro-1H-pyrrolo[3,2-b]pyridine;2-(6-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)acetonitrile;1-(6-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)-N,N-dimethylmethanamine;(6-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)methyl-trimethylazanium;5-chloro-2-(2-trimethylsilylethynyl)pyridin-3-amine;ethynyl(trimethyl)silane;methane;iodide (CID 159019502) is 2-bromo-5-chloropyridin-3-amine;tert-butyl 6-chloro-3-(cyanomethyl)pyrrolo[3,2-b]pyridine-1-carboxylate;tert-butyl 6-chloro-3-(2-cyanopropan-2-yl)pyrrolo[3,2-b]pyridine-1-carboxylate;6-chloro-1H-pyrrolo[3,2-b]pyridine;2-(6-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)acetonitrile;1-(6-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)-N,N-dimethylmethanamine;(6-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)methyl-trimethylazanium;5-chloro-2-(2-trimethylsilylethynyl)pyridin-3-amine;ethynyl(trimethyl)silane;methane;iodide.

What is the SMILES notation for 2-bromo-5-chloropyridin-3-amine;tert-butyl 6-chloro-3-(cyanomethyl)pyrrolo[3,2-b]pyridine-1-carboxylate;tert-butyl 6-chloro-3-(2-cyanopropan-2-yl)pyrrolo[3,2-b]pyridine-1-carboxylate;6-chloro-1H-pyrrolo[3,2-b]pyridine;2-(6-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)acetonitrile;1-(6-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)-N,N-dimethylmethanamine;(6-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)methyl-trimethylazanium;5-chloro-2-(2-trimethylsilylethynyl)pyridin-3-amine;ethynyl(trimethyl)silane;methane;iodide?

The canonical SMILES for 2-bromo-5-chloropyridin-3-amine;tert-butyl 6-chloro-3-(cyanomethyl)pyrrolo[3,2-b]pyridine-1-carboxylate;tert-butyl 6-chloro-3-(2-cyanopropan-2-yl)pyrrolo[3,2-b]pyridine-1-carboxylate;6-chloro-1H-pyrrolo[3,2-b]pyridine;2-(6-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)acetonitrile;1-(6-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)-N,N-dimethylmethanamine;(6-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)methyl-trimethylazanium;5-chloro-2-(2-trimethylsilylethynyl)pyridin-3-amine;ethynyl(trimethyl)silane;methane;iodide is C.C#C[Si](C)(C)C.CC(C)(C)OC(=O)n1cc(C(C)(C)C#N)c2ncc(Cl)cc21.CC(C)(C)OC(=O)n1cc(CC#N)c2ncc(Cl)cc21.CN(C)Cc1c[nH]c2cc(Cl)cnc12.C[N+](C)(C)Cc1c[nH]c2cc(Cl)cnc12.C[Si](C)(C)C#Cc1ncc(Cl)cc1N.Clc1cnc2cc[nH]c2c1.N#CCc1c[nH]c2cc(Cl)cnc12.Nc1cc(Cl)cnc1Br.[I-].

What is the InChIKey of 2-bromo-5-chloropyridin-3-amine;tert-butyl 6-chloro-3-(cyanomethyl)pyrrolo[3,2-b]pyridine-1-carboxylate;tert-butyl 6-chloro-3-(2-cyanopropan-2-yl)pyrrolo[3,2-b]pyridine-1-carboxylate;6-chloro-1H-pyrrolo[3,2-b]pyridine;2-(6-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)acetonitrile;1-(6-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)-N,N-dimethylmethanamine;(6-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)methyl-trimethylazanium;5-chloro-2-(2-trimethylsilylethynyl)pyridin-3-amine;ethynyl(trimethyl)silane;methane;iodide?

The InChIKey is MVPSSFLWORPNMG-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H18ClN3O2.C14H14ClN3O2.C11H15ClN3.C10H12ClN3.C10H13ClN2Si.C9H6ClN3.C7H5ClN2.C5H4BrClN2.C5H10Si.CH4.HI/c1-15(2,3)22-14(21)20-8-11(16(4,5)9-18)13-12(20)6-10(17)7-19-13;1-14(2,3)20-13(19)18-8-9(4-5-16)12-11(18)6-10(15)7-17-12;1-15(2,3)7-8-5-13-10-4-9(12)6-14-11(8)10;1-14(2)6-7-4-12-9-3-8(11)5-13-10(7)9;1-14(2,3)5-4-10-9(12)6-8(11)7-13-10;10-7-3-8-9(13-5-7)6(1-2-11)4-12-8;8-5-3-7-6(10-4-5)1-2-9-7;6-5-4(8)1-3(7)2-9-5;1-5-6(2,3)4;;/h6-8H,1-5H3;6-8H,4H2,1-3H3;4-6,13H,7H2,1-3H3;3-5,12H,6H2,1-2H3;6-7H,12H2,1-3H3;3-5,12H,1H2;1-4,9H;1-2H,8H2;1H,2-4H3;1H4;1H/q;;+1;;;;;;;;/p-1.

What are the key properties of 2-bromo-5-chloropyridin-3-amine;tert-butyl 6-chloro-3-(cyanomethyl)pyrrolo[3,2-b]pyridine-1-carboxylate;tert-butyl 6-chloro-3-(2-cyanopropan-2-yl)pyrrolo[3,2-b]pyridine-1-carboxylate;6-chloro-1H-pyrrolo[3,2-b]pyridine;2-(6-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)acetonitrile;1-(6-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)-N,N-dimethylmethanamine;(6-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)methyl-trimethylazanium;5-chloro-2-(2-trimethylsilylethynyl)pyridin-3-amine;ethynyl(trimethyl)silane;methane;iodide?

2-bromo-5-chloropyridin-3-amine;tert-butyl 6-chloro-3-(cyanomethyl)pyrrolo[3,2-b]pyridine-1-carboxylate;tert-butyl 6-chloro-3-(2-cyanopropan-2-yl)pyrrolo[3,2-b]pyridine-1-carboxylate;6-chloro-1H-pyrrolo[3,2-b]pyridine;2-(6-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)acetonitrile;1-(6-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)-N,N-dimethylmethanamine;(6-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)methyl-trimethylazanium;5-chloro-2-(2-trimethylsilylethynyl)pyridin-3-amine;ethynyl(trimethyl)silane;methane;iodide has a molecular weight of 2063.52 g/mol, XLogP of 20.78, 7 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-5-chloropyridin-3-amine;tert-butyl 6-chloro-3-(cyanomethyl)pyrrolo[3,2-b]pyridine-1-carboxylate;tert-butyl 6-chloro-3-(2-cyanopropan-2-yl)pyrrolo[3,2-b]pyridine-1-carboxylate;6-chloro-1H-pyrrolo[3,2-b]pyridine;2-(6-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)acetonitrile;1-(6-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)-N,N-dimethylmethanamine;(6-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)methyl-trimethylazanium;5-chloro-2-(2-trimethylsilylethynyl)pyridin-3-amine;ethynyl(trimethyl)silane;methane;iodide is sourced from PubChem (CID 159019502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).