2-bromoacetamide;6-(2-chloro-3-pyridinyl)-1H-indazole;2-[6-(2-chloro-3-pyridinyl)indazol-1-yl]acetamide;2-[6-(2-chloro-3-pyridinyl)indazol-2-yl]acetamide

C42H34BrCl3N12O3 — CID 158722336

About 2-bromoacetamide;6-(2-chloro-3-pyridinyl)-1H-indazole;2-[6-(2-chloro-3-pyridinyl)indazol-1-yl]acetamide;2-[6-(2-chloro-3-pyridinyl)indazol-2-yl]acetamide

2-bromoacetamide;6-(2-chloro-3-pyridinyl)-1H-indazole;2-[6-(2-chloro-3-pyridinyl)indazol-1-yl]acetamide;2-[6-(2-chloro-3-pyridinyl)indazol-2-yl]acetamide (PubChem CID 158722336) has the molecular formula C42H34BrCl3N12O3 and a molecular weight of 941.08 g/mol. Its IUPAC name is 2-bromoacetamide;6-(2-chloro-3-pyridinyl)-1H-indazole;2-[6-(2-chloro-3-pyridinyl)indazol-1-yl]acetamide;2-[6-(2-chloro-3-pyridinyl)indazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-bromoacetamide;6-(2-chloro-3-pyridinyl)-1H-indazole;2-[6-(2-chloro-3-pyridinyl)indazol-1-yl]acetamide;2-[6-(2-chloro-3-pyridinyl)indazol-2-yl]acetamide
• PubChem CID: 158722336
• Molecular Formula: C42H34BrCl3N12O3
• Molecular Weight: 941.08 g/mol
• Exact Mass: 938.11
• IUPAC Name: 2-bromoacetamide;6-(2-chloro-3-pyridinyl)-1H-indazole;2-[6-(2-chloro-3-pyridinyl)indazol-1-yl]acetamide;2-[6-(2-chloro-3-pyridinyl)indazol-2-yl]acetamide
• SMILES: Clc1ncccc1-c1ccc2cn[nH]c2c1.NC(=O)CBr.NC(=O)Cn1cc2ccc(-c3cccnc3Cl)cc2n1.NC(=O)Cn1ncc2ccc(-c3cccnc3Cl)cc21
• InChI: InChI=1S/2C14H11ClN4O.C12H8ClN3.C2H4BrNO/c15-14-11(2-1-5-17-14)9-3-4-10-7-19(8-13(16)20)18-12(10)6-9;15-14-11(2-1-5-17-14)9-3-4-10-7-18-19(8-13(16)20)12(10)6-9;13-12-10(2-1-5-14-12)8-3-4-9-7-15-16-11(9)6-8;3-1-2(4)5/h2*1-7H,8H2,(H2,16,20);1-7H,(H,15,16);1H2,(H2,4,5)
• InChIKey: IKBMECDMIMEODV-UHFFFAOYSA-N
• XLogP: 7.62
• TPSA: 232.26 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	941.08
LogP ≤ 5	7.62
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromoacetamide;6-(2-chloro-3-pyridinyl)-1H-indazole;2-[6-(2-chloro-3-pyridinyl)indazol-1-yl]acetamide;2-[6-(2-chloro-3-pyridinyl)indazol-2-yl]acetamide?

The IUPAC name of 2-bromoacetamide;6-(2-chloro-3-pyridinyl)-1H-indazole;2-[6-(2-chloro-3-pyridinyl)indazol-1-yl]acetamide;2-[6-(2-chloro-3-pyridinyl)indazol-2-yl]acetamide (CID 158722336) is 2-bromoacetamide;6-(2-chloro-3-pyridinyl)-1H-indazole;2-[6-(2-chloro-3-pyridinyl)indazol-1-yl]acetamide;2-[6-(2-chloro-3-pyridinyl)indazol-2-yl]acetamide.

What is the SMILES notation for 2-bromoacetamide;6-(2-chloro-3-pyridinyl)-1H-indazole;2-[6-(2-chloro-3-pyridinyl)indazol-1-yl]acetamide;2-[6-(2-chloro-3-pyridinyl)indazol-2-yl]acetamide?

The canonical SMILES for 2-bromoacetamide;6-(2-chloro-3-pyridinyl)-1H-indazole;2-[6-(2-chloro-3-pyridinyl)indazol-1-yl]acetamide;2-[6-(2-chloro-3-pyridinyl)indazol-2-yl]acetamide is Clc1ncccc1-c1ccc2cn[nH]c2c1.NC(=O)CBr.NC(=O)Cn1cc2ccc(-c3cccnc3Cl)cc2n1.NC(=O)Cn1ncc2ccc(-c3cccnc3Cl)cc21.

What is the InChIKey of 2-bromoacetamide;6-(2-chloro-3-pyridinyl)-1H-indazole;2-[6-(2-chloro-3-pyridinyl)indazol-1-yl]acetamide;2-[6-(2-chloro-3-pyridinyl)indazol-2-yl]acetamide?

The InChIKey is IKBMECDMIMEODV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H11ClN4O.C12H8ClN3.C2H4BrNO/c15-14-11(2-1-5-17-14)9-3-4-10-7-19(8-13(16)20)18-12(10)6-9;15-14-11(2-1-5-17-14)9-3-4-10-7-18-19(8-13(16)20)12(10)6-9;13-12-10(2-1-5-14-12)8-3-4-9-7-15-16-11(9)6-8;3-1-2(4)5/h2*1-7H,8H2,(H2,16,20);1-7H,(H,15,16);1H2,(H2,4,5).

What are the key properties of 2-bromoacetamide;6-(2-chloro-3-pyridinyl)-1H-indazole;2-[6-(2-chloro-3-pyridinyl)indazol-1-yl]acetamide;2-[6-(2-chloro-3-pyridinyl)indazol-2-yl]acetamide?

2-bromoacetamide;6-(2-chloro-3-pyridinyl)-1H-indazole;2-[6-(2-chloro-3-pyridinyl)indazol-1-yl]acetamide;2-[6-(2-chloro-3-pyridinyl)indazol-2-yl]acetamide has a molecular weight of 941.08 g/mol, XLogP of 7.62, 8 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromoacetamide;6-(2-chloro-3-pyridinyl)-1H-indazole;2-[6-(2-chloro-3-pyridinyl)indazol-1-yl]acetamide;2-[6-(2-chloro-3-pyridinyl)indazol-2-yl]acetamide is sourced from PubChem (CID 158722336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).