5-bromo-2-(chloromethyl)pyridine;5-bromo-2-[2-(4-chlorophenyl)ethyl]pyridine;4-chloroaniline;N-(4-chlorophenyl)-5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]pyridine-2-carboxamide;N-(4-chlorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridine-2-carboxamide;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde

C91H98Br2Cl5N13O4Si2 — CID 158594090

About 5-bromo-2-(chloromethyl)pyridine;5-bromo-2-[2-(4-chlorophenyl)ethyl]pyridine;4-chloroaniline;N-(4-chlorophenyl)-5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]pyridine-2-carboxamide;N-(4-chlorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridine-2-carboxamide;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde

5-bromo-2-(chloromethyl)pyridine;5-bromo-2-[2-(4-chlorophenyl)ethyl]pyridine;4-chloroaniline;N-(4-chlorophenyl)-5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]pyridine-2-carboxamide;N-(4-chlorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridine-2-carboxamide;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde (PubChem CID 158594090) has the molecular formula C91H98Br2Cl5N13O4Si2 and a molecular weight of 1831.12 g/mol. Its IUPAC name is 5-bromo-2-(chloromethyl)pyridine;5-bromo-2-[2-(4-chlorophenyl)ethyl]pyridine;4-chloroaniline;N-(4-chlorophenyl)-5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]pyridine-2-carboxamide;N-(4-chlorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridine-2-carboxamide;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde.

Molecular Properties

• Compound Name: 5-bromo-2-(chloromethyl)pyridine;5-bromo-2-[2-(4-chlorophenyl)ethyl]pyridine;4-chloroaniline;N-(4-chlorophenyl)-5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]pyridine-2-carboxamide;N-(4-chlorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridine-2-carboxamide;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde
• PubChem CID: 158594090
• Molecular Formula: C91H98Br2Cl5N13O4Si2
• Molecular Weight: 1831.12 g/mol
• Exact Mass: 1825.42
• IUPAC Name: 5-bromo-2-(chloromethyl)pyridine;5-bromo-2-[2-(4-chlorophenyl)ethyl]pyridine;4-chloroaniline;N-(4-chlorophenyl)-5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]pyridine-2-carboxamide;N-(4-chlorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridine-2-carboxamide;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde
• SMILES: CC(C)[Si](C(C)C)(C(C)C)n1cc(C(O)c2ccc(C(=O)Nc3ccc(Cl)cc3)nc2)c2cccnc21.CC(C)[Si](C(C)C)(C(C)C)n1cc(C=O)c2cccnc21.ClCc1ccc(Br)cn1.Clc1ccc(CCc2ccc(Br)cn2)cc1.Nc1ccc(Cl)cc1.O=C(Nc1ccc(Cl)cc1)c1ccc(Cc2c[nH]c3ncccc23)cn1
• InChI: InChI=1S/C29H35ClN4O2Si.C20H15ClN4O.C17H26N2OSi.C13H11BrClN.C6H5BrClN.C6H6ClN/c1-18(2)37(19(3)4,20(5)6)34-17-25(24-8-7-15-31-28(24)34)27(35)21-9-14-26(32-16-21)29(36)33-23-12-10-22(30)11-13-23;21-15-4-6-16(7-5-15)25-20(26)18-8-3-13(11-23-18)10-14-12-24-19-17(14)2-1-9-22-19;1-12(2)21(13(3)4,14(5)6)19-10-15(11-20)16-8-7-9-18-17(16)19;14-11-4-8-13(16-9-11)7-3-10-1-5-12(15)6-2-10;7-5-1-2-6(3-8)9-4-5;7-5-1-3-6(8)4-2-5/h7-20,27,35H,1-6H3,(H,33,36);1-9,11-12H,10H2,(H,22,24)(H,25,26);7-14H,1-6H3;1-2,4-6,8-9H,3,7H2;1-2,4H,3H2;1-4H,8H2
• InChIKey: HUUNPUFZKMOBSS-UHFFFAOYSA-N
• XLogP: 25.56
• TPSA: 237.40 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 21
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1831.12
LogP ≤ 5	25.56
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(chloromethyl)pyridine;5-bromo-2-[2-(4-chlorophenyl)ethyl]pyridine;4-chloroaniline;N-(4-chlorophenyl)-5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]pyridine-2-carboxamide;N-(4-chlorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridine-2-carboxamide;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde?

The IUPAC name of 5-bromo-2-(chloromethyl)pyridine;5-bromo-2-[2-(4-chlorophenyl)ethyl]pyridine;4-chloroaniline;N-(4-chlorophenyl)-5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]pyridine-2-carboxamide;N-(4-chlorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridine-2-carboxamide;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde (CID 158594090) is 5-bromo-2-(chloromethyl)pyridine;5-bromo-2-[2-(4-chlorophenyl)ethyl]pyridine;4-chloroaniline;N-(4-chlorophenyl)-5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]pyridine-2-carboxamide;N-(4-chlorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridine-2-carboxamide;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde.

What is the SMILES notation for 5-bromo-2-(chloromethyl)pyridine;5-bromo-2-[2-(4-chlorophenyl)ethyl]pyridine;4-chloroaniline;N-(4-chlorophenyl)-5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]pyridine-2-carboxamide;N-(4-chlorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridine-2-carboxamide;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde?

The canonical SMILES for 5-bromo-2-(chloromethyl)pyridine;5-bromo-2-[2-(4-chlorophenyl)ethyl]pyridine;4-chloroaniline;N-(4-chlorophenyl)-5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]pyridine-2-carboxamide;N-(4-chlorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridine-2-carboxamide;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde is CC(C)[Si](C(C)C)(C(C)C)n1cc(C(O)c2ccc(C(=O)Nc3ccc(Cl)cc3)nc2)c2cccnc21.CC(C)[Si](C(C)C)(C(C)C)n1cc(C=O)c2cccnc21.ClCc1ccc(Br)cn1.Clc1ccc(CCc2ccc(Br)cn2)cc1.Nc1ccc(Cl)cc1.O=C(Nc1ccc(Cl)cc1)c1ccc(Cc2c[nH]c3ncccc23)cn1.

What is the InChIKey of 5-bromo-2-(chloromethyl)pyridine;5-bromo-2-[2-(4-chlorophenyl)ethyl]pyridine;4-chloroaniline;N-(4-chlorophenyl)-5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]pyridine-2-carboxamide;N-(4-chlorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridine-2-carboxamide;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde?

The InChIKey is HUUNPUFZKMOBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35ClN4O2Si.C20H15ClN4O.C17H26N2OSi.C13H11BrClN.C6H5BrClN.C6H6ClN/c1-18(2)37(19(3)4,20(5)6)34-17-25(24-8-7-15-31-28(24)34)27(35)21-9-14-26(32-16-21)29(36)33-23-12-10-22(30)11-13-23;21-15-4-6-16(7-5-15)25-20(26)18-8-3-13(11-23-18)10-14-12-24-19-17(14)2-1-9-22-19;1-12(2)21(13(3)4,14(5)6)19-10-15(11-20)16-8-7-9-18-17(16)19;14-11-4-8-13(16-9-11)7-3-10-1-5-12(15)6-2-10;7-5-1-2-6(3-8)9-4-5;7-5-1-3-6(8)4-2-5/h7-20,27,35H,1-6H3,(H,33,36);1-9,11-12H,10H2,(H,22,24)(H,25,26);7-14H,1-6H3;1-2,4-6,8-9H,3,7H2;1-2,4H,3H2;1-4H,8H2.

What are the key properties of 5-bromo-2-(chloromethyl)pyridine;5-bromo-2-[2-(4-chlorophenyl)ethyl]pyridine;4-chloroaniline;N-(4-chlorophenyl)-5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]pyridine-2-carboxamide;N-(4-chlorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridine-2-carboxamide;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde?

5-bromo-2-(chloromethyl)pyridine;5-bromo-2-[2-(4-chlorophenyl)ethyl]pyridine;4-chloroaniline;N-(4-chlorophenyl)-5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]pyridine-2-carboxamide;N-(4-chlorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridine-2-carboxamide;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde has a molecular weight of 1831.12 g/mol, XLogP of 25.56, 21 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-(chloromethyl)pyridine;5-bromo-2-[2-(4-chlorophenyl)ethyl]pyridine;4-chloroaniline;N-(4-chlorophenyl)-5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]pyridine-2-carboxamide;N-(4-chlorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridine-2-carboxamide;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde is sourced from PubChem (CID 158594090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).