2-(5-chloro-2H-indazol-3-yl)acetic acid;2-(5-chloro-2H-indazol-3-yl)-N-methylacetamide;2-(chloromethyl)oxirane;5-chloro-2-nitrobenzaldehyde;2-[5-chloro-1-(oxiran-2-ylmethyl)indazol-3-yl]-N-methylacetamide;1,2-dibromoethane;ethane;2-(1H-indol-3-yl)-2-oxoacetic acid;methane;methyl 2-[1-(2-bromoethyl)indol-3-yl]-2-oxoacetate;methyl 2-(1H-indol-3-yl)-2-oxoacetate

C82H86Br3Cl5N12O18 — CID 158970629

About 2-(5-chloro-2H-indazol-3-yl)acetic acid;2-(5-chloro-2H-indazol-3-yl)-N-methylacetamide;2-(chloromethyl)oxirane;5-chloro-2-nitrobenzaldehyde;2-[5-chloro-1-(oxiran-2-ylmethyl)indazol-3-yl]-N-methylacetamide;1,2-dibromoethane;ethane;2-(1H-indol-3-yl)-2-oxoacetic acid;methane;methyl 2-[1-(2-bromoethyl)indol-3-yl]-2-oxoacetate;methyl 2-(1H-indol-3-yl)-2-oxoacetate

2-(5-chloro-2H-indazol-3-yl)acetic acid;2-(5-chloro-2H-indazol-3-yl)-N-methylacetamide;2-(chloromethyl)oxirane;5-chloro-2-nitrobenzaldehyde;2-[5-chloro-1-(oxiran-2-ylmethyl)indazol-3-yl]-N-methylacetamide;1,2-dibromoethane;ethane;2-(1H-indol-3-yl)-2-oxoacetic acid;methane;methyl 2-[1-(2-bromoethyl)indol-3-yl]-2-oxoacetate;methyl 2-(1H-indol-3-yl)-2-oxoacetate (PubChem CID 158970629) has the molecular formula C82H86Br3Cl5N12O18 and a molecular weight of 1944.63 g/mol. Its IUPAC name is 2-(5-chloro-2H-indazol-3-yl)acetic acid;2-(5-chloro-2H-indazol-3-yl)-N-methylacetamide;2-(chloromethyl)oxirane;5-chloro-2-nitrobenzaldehyde;2-[5-chloro-1-(oxiran-2-ylmethyl)indazol-3-yl]-N-methylacetamide;1,2-dibromoethane;ethane;2-(1H-indol-3-yl)-2-oxoacetic acid;methane;methyl 2-[1-(2-bromoethyl)indol-3-yl]-2-oxoacetate;methyl 2-(1H-indol-3-yl)-2-oxoacetate.

Molecular Properties

• Compound Name: 2-(5-chloro-2H-indazol-3-yl)acetic acid;2-(5-chloro-2H-indazol-3-yl)-N-methylacetamide;2-(chloromethyl)oxirane;5-chloro-2-nitrobenzaldehyde;2-[5-chloro-1-(oxiran-2-ylmethyl)indazol-3-yl]-N-methylacetamide;1,2-dibromoethane;ethane;2-(1H-indol-3-yl)-2-oxoacetic acid;methane;methyl 2-[1-(2-bromoethyl)indol-3-yl]-2-oxoacetate;methyl 2-(1H-indol-3-yl)-2-oxoacetate
• PubChem CID: 158970629
• Molecular Formula: C82H86Br3Cl5N12O18
• Molecular Weight: 1944.63 g/mol
• Exact Mass: 1938.22
• IUPAC Name: 2-(5-chloro-2H-indazol-3-yl)acetic acid;2-(5-chloro-2H-indazol-3-yl)-N-methylacetamide;2-(chloromethyl)oxirane;5-chloro-2-nitrobenzaldehyde;2-[5-chloro-1-(oxiran-2-ylmethyl)indazol-3-yl]-N-methylacetamide;1,2-dibromoethane;ethane;2-(1H-indol-3-yl)-2-oxoacetic acid;methane;methyl 2-[1-(2-bromoethyl)indol-3-yl]-2-oxoacetate;methyl 2-(1H-indol-3-yl)-2-oxoacetate
• SMILES: BrCCBr.C.C.CC.CNC(=O)Cc1[nH]nc2ccc(Cl)cc12.CNC(=O)Cc1nn(CC2CO2)c2ccc(Cl)cc12.COC(=O)C(=O)c1c[nH]c2ccccc12.COC(=O)C(=O)c1cn(CCBr)c2ccccc12.ClCC1CO1.O=C(O)C(=O)c1c[nH]c2ccccc12.O=C(O)Cc1[nH]nc2ccc(Cl)cc12.O=Cc1cc(Cl)ccc1[N+](=O)[O-]
• InChI: InChI=1S/C13H12BrNO3.C13H14ClN3O2.C11H9NO3.C10H10ClN3O.C10H7NO3.C9H7ClN2O2.C7H4ClNO3.C3H5ClO.C2H4Br2.C2H6.2CH4/c1-18-13(17)12(16)10-8-15(7-6-14)11-5-3-2-4-9(10)11;1-15-13(18)5-11-10-4-8(14)2-3-12(10)17(16-11)6-9-7-19-9;1-15-11(14)10(13)8-6-12-9-5-3-2-4-7(8)9;1-12-10(15)5-9-7-4-6(11)2-3-8(7)13-14-9;12-9(10(13)14)7-5-11-8-4-2-1-3-6(7)8;10-5-1-2-7-6(3-5)8(12-11-7)4-9(13)14;8-6-1-2-7(9(11)12)5(3-6)4-10;4-1-3-2-5-3;3-1-2-4;1-2;;/h2-5,8H,6-7H2,1H3;2-4,9H,5-7H2,1H3,(H,15,18);2-6,12H,1H3;2-4H,5H2,1H3,(H,12,15)(H,13,14);1-5,11H,(H,13,14);1-3H,4H2,(H,11,12)(H,13,14);1-4H;3H,1-2H2;1-2H2;1-2H3;2*1H4
• InChIKey: JNTQDBWPJCMQDZ-UHFFFAOYSA-N
• XLogP: 16.84
• TPSA: 433.57 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 21
• Rotatable Bonds: 20
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1944.63
LogP ≤ 5	16.84
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2H-indazol-3-yl)acetic acid;2-(5-chloro-2H-indazol-3-yl)-N-methylacetamide;2-(chloromethyl)oxirane;5-chloro-2-nitrobenzaldehyde;2-[5-chloro-1-(oxiran-2-ylmethyl)indazol-3-yl]-N-methylacetamide;1,2-dibromoethane;ethane;2-(1H-indol-3-yl)-2-oxoacetic acid;methane;methyl 2-[1-(2-bromoethyl)indol-3-yl]-2-oxoacetate;methyl 2-(1H-indol-3-yl)-2-oxoacetate?

The IUPAC name of 2-(5-chloro-2H-indazol-3-yl)acetic acid;2-(5-chloro-2H-indazol-3-yl)-N-methylacetamide;2-(chloromethyl)oxirane;5-chloro-2-nitrobenzaldehyde;2-[5-chloro-1-(oxiran-2-ylmethyl)indazol-3-yl]-N-methylacetamide;1,2-dibromoethane;ethane;2-(1H-indol-3-yl)-2-oxoacetic acid;methane;methyl 2-[1-(2-bromoethyl)indol-3-yl]-2-oxoacetate;methyl 2-(1H-indol-3-yl)-2-oxoacetate (CID 158970629) is 2-(5-chloro-2H-indazol-3-yl)acetic acid;2-(5-chloro-2H-indazol-3-yl)-N-methylacetamide;2-(chloromethyl)oxirane;5-chloro-2-nitrobenzaldehyde;2-[5-chloro-1-(oxiran-2-ylmethyl)indazol-3-yl]-N-methylacetamide;1,2-dibromoethane;ethane;2-(1H-indol-3-yl)-2-oxoacetic acid;methane;methyl 2-[1-(2-bromoethyl)indol-3-yl]-2-oxoacetate;methyl 2-(1H-indol-3-yl)-2-oxoacetate.

What is the SMILES notation for 2-(5-chloro-2H-indazol-3-yl)acetic acid;2-(5-chloro-2H-indazol-3-yl)-N-methylacetamide;2-(chloromethyl)oxirane;5-chloro-2-nitrobenzaldehyde;2-[5-chloro-1-(oxiran-2-ylmethyl)indazol-3-yl]-N-methylacetamide;1,2-dibromoethane;ethane;2-(1H-indol-3-yl)-2-oxoacetic acid;methane;methyl 2-[1-(2-bromoethyl)indol-3-yl]-2-oxoacetate;methyl 2-(1H-indol-3-yl)-2-oxoacetate?

The canonical SMILES for 2-(5-chloro-2H-indazol-3-yl)acetic acid;2-(5-chloro-2H-indazol-3-yl)-N-methylacetamide;2-(chloromethyl)oxirane;5-chloro-2-nitrobenzaldehyde;2-[5-chloro-1-(oxiran-2-ylmethyl)indazol-3-yl]-N-methylacetamide;1,2-dibromoethane;ethane;2-(1H-indol-3-yl)-2-oxoacetic acid;methane;methyl 2-[1-(2-bromoethyl)indol-3-yl]-2-oxoacetate;methyl 2-(1H-indol-3-yl)-2-oxoacetate is BrCCBr.C.C.CC.CNC(=O)Cc1[nH]nc2ccc(Cl)cc12.CNC(=O)Cc1nn(CC2CO2)c2ccc(Cl)cc12.COC(=O)C(=O)c1c[nH]c2ccccc12.COC(=O)C(=O)c1cn(CCBr)c2ccccc12.ClCC1CO1.O=C(O)C(=O)c1c[nH]c2ccccc12.O=C(O)Cc1[nH]nc2ccc(Cl)cc12.O=Cc1cc(Cl)ccc1[N+](=O)[O-].

What is the InChIKey of 2-(5-chloro-2H-indazol-3-yl)acetic acid;2-(5-chloro-2H-indazol-3-yl)-N-methylacetamide;2-(chloromethyl)oxirane;5-chloro-2-nitrobenzaldehyde;2-[5-chloro-1-(oxiran-2-ylmethyl)indazol-3-yl]-N-methylacetamide;1,2-dibromoethane;ethane;2-(1H-indol-3-yl)-2-oxoacetic acid;methane;methyl 2-[1-(2-bromoethyl)indol-3-yl]-2-oxoacetate;methyl 2-(1H-indol-3-yl)-2-oxoacetate?

The InChIKey is JNTQDBWPJCMQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO3.C13H14ClN3O2.C11H9NO3.C10H10ClN3O.C10H7NO3.C9H7ClN2O2.C7H4ClNO3.C3H5ClO.C2H4Br2.C2H6.2CH4/c1-18-13(17)12(16)10-8-15(7-6-14)11-5-3-2-4-9(10)11;1-15-13(18)5-11-10-4-8(14)2-3-12(10)17(16-11)6-9-7-19-9;1-15-11(14)10(13)8-6-12-9-5-3-2-4-7(8)9;1-12-10(15)5-9-7-4-6(11)2-3-8(7)13-14-9;12-9(10(13)14)7-5-11-8-4-2-1-3-6(7)8;10-5-1-2-7-6(3-5)8(12-11-7)4-9(13)14;8-6-1-2-7(9(11)12)5(3-6)4-10;4-1-3-2-5-3;3-1-2-4;1-2;;/h2-5,8H,6-7H2,1H3;2-4,9H,5-7H2,1H3,(H,15,18);2-6,12H,1H3;2-4H,5H2,1H3,(H,12,15)(H,13,14);1-5,11H,(H,13,14);1-3H,4H2,(H,11,12)(H,13,14);1-4H;3H,1-2H2;1-2H2;1-2H3;2*1H4.

What are the key properties of 2-(5-chloro-2H-indazol-3-yl)acetic acid;2-(5-chloro-2H-indazol-3-yl)-N-methylacetamide;2-(chloromethyl)oxirane;5-chloro-2-nitrobenzaldehyde;2-[5-chloro-1-(oxiran-2-ylmethyl)indazol-3-yl]-N-methylacetamide;1,2-dibromoethane;ethane;2-(1H-indol-3-yl)-2-oxoacetic acid;methane;methyl 2-[1-(2-bromoethyl)indol-3-yl]-2-oxoacetate;methyl 2-(1H-indol-3-yl)-2-oxoacetate?

2-(5-chloro-2H-indazol-3-yl)acetic acid;2-(5-chloro-2H-indazol-3-yl)-N-methylacetamide;2-(chloromethyl)oxirane;5-chloro-2-nitrobenzaldehyde;2-[5-chloro-1-(oxiran-2-ylmethyl)indazol-3-yl]-N-methylacetamide;1,2-dibromoethane;ethane;2-(1H-indol-3-yl)-2-oxoacetic acid;methane;methyl 2-[1-(2-bromoethyl)indol-3-yl]-2-oxoacetate;methyl 2-(1H-indol-3-yl)-2-oxoacetate has a molecular weight of 1944.63 g/mol, XLogP of 16.84, 20 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-chloro-2H-indazol-3-yl)acetic acid;2-(5-chloro-2H-indazol-3-yl)-N-methylacetamide;2-(chloromethyl)oxirane;5-chloro-2-nitrobenzaldehyde;2-[5-chloro-1-(oxiran-2-ylmethyl)indazol-3-yl]-N-methylacetamide;1,2-dibromoethane;ethane;2-(1H-indol-3-yl)-2-oxoacetic acid;methane;methyl 2-[1-(2-bromoethyl)indol-3-yl]-2-oxoacetate;methyl 2-(1H-indol-3-yl)-2-oxoacetate is sourced from PubChem (CID 158970629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).