3-bromo-6-fluoro-1-methyl-5-nitroindazole;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;5-fluoro-2-methyl-4-nitroaniline;N-(5-fluoro-2-methyl-4-nitrophenyl)acetamide;N-(5-fluoro-2-methylphenyl)acetamide;6-fluoro-5-nitro-1H-indazole

C57H48BrF7N14O11 — CID 157217505

IUPAC3-bromo-6-fluoro-1-methyl-5-nitroindazole;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;5-fluoro-2-methyl-4-nitroaniline;N-(5-fluoro-2-methyl-4-nitrophenyl)acetamide;N-(5-fluoro-2-methylphenyl)acetamide;6-fluoro-5-nitro-1H-indazole
SMILESCC(=O)Nc1cc(F)c([N+](=O)[O-])cc1C.CC(=O)Nc1cc(F)ccc1C.CC(=O)Nc1cc2c(/C=C/c3cccc(F)c3)n[nH]c2cc1F.Cc1cc([N+](=O)[O-])c(F)cc1N.Cn1nc(Br)c2cc([N+](=O)[O-])c(F)cc21.O=[N+]([O-])c1cc2cn[nH]c2cc1F
InChIInChI=1S/C17H13F2N3O.C9H9FN2O3.C9H10FNO.C8H5BrFN3O2.C7H4FN3O2.C7H7FN2O2/c1-10(23)20-17-8-13-15(21-22-16(13)9-14(17)19)6-5-11-3-2-4-12(18)7-11;1-5-3-9(12(14)15)7(10)4-8(5)11-6(2)13;1-6-3-4-8(10)5-9(6)11-7(2)12;1-12-6-3-5(10)7(13(14)15)2-4(6)8(9)11-12;8-5-2-6-4(3-9-10-6)1-7(5)11(12)13;1-4-2-7(10(11)12)5(8)3-6(4)9/h2-9H,1H3,(H,20,23)(H,21,22);3-4H,1-2H3,(H,11,13);3-5H,1-2H3,(H,11,12);2-3H,1H3;1-3H,(H,9,10);2-3H,9H2,1H3/b6-5+;;;;;
InChIKeyASPAWNHIHWNMPX-UHRCPJNSSA-N
MW1317.99 g/mol
LogP13.68
Rot. Bonds9

About 3-bromo-6-fluoro-1-methyl-5-nitroindazole;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;5-fluoro-2-methyl-4-nitroaniline;N-(5-fluoro-2-methyl-4-nitrophenyl)acetamide;N-(5-fluoro-2-methylphenyl)acetamide;6-fluoro-5-nitro-1H-indazole

3-bromo-6-fluoro-1-methyl-5-nitroindazole;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;5-fluoro-2-methyl-4-nitroaniline;N-(5-fluoro-2-methyl-4-nitrophenyl)acetamide;N-(5-fluoro-2-methylphenyl)acetamide;6-fluoro-5-nitro-1H-indazole (PubChem CID 157217505) has the molecular formula C57H48BrF7N14O11 and a molecular weight of 1317.99 g/mol. Its IUPAC name is 3-bromo-6-fluoro-1-methyl-5-nitroindazole;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;5-fluoro-2-methyl-4-nitroaniline;N-(5-fluoro-2-methyl-4-nitrophenyl)acetamide;N-(5-fluoro-2-methylphenyl)acetamide;6-fluoro-5-nitro-1H-indazole.

Molecular Properties

Compound Name3-bromo-6-fluoro-1-methyl-5-nitroindazole;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;5-fluoro-2-methyl-4-nitroaniline;N-(5-fluoro-2-methyl-4-nitrophenyl)acetamide;N-(5-fluoro-2-methylphenyl)acetamide;6-fluoro-5-nitro-1H-indazole
PubChem CID157217505
Molecular FormulaC57H48BrF7N14O11
Molecular Weight1317.99 g/mol
Exact Mass1316.27
IUPAC Name3-bromo-6-fluoro-1-methyl-5-nitroindazole;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;5-fluoro-2-methyl-4-nitroaniline;N-(5-fluoro-2-methyl-4-nitrophenyl)acetamide;N-(5-fluoro-2-methylphenyl)acetamide;6-fluoro-5-nitro-1H-indazole
SMILESCC(=O)Nc1cc(F)c([N+](=O)[O-])cc1C.CC(=O)Nc1cc(F)ccc1C.CC(=O)Nc1cc2c(/C=C/c3cccc(F)c3)n[nH]c2cc1F.Cc1cc([N+](=O)[O-])c(F)cc1N.Cn1nc(Br)c2cc([N+](=O)[O-])c(F)cc21.O=[N+]([O-])c1cc2cn[nH]c2cc1F
InChIInChI=1S/C17H13F2N3O.C9H9FN2O3.C9H10FNO.C8H5BrFN3O2.C7H4FN3O2.C7H7FN2O2/c1-10(23)20-17-8-13-15(21-22-16(13)9-14(17)19)6-5-11-3-2-4-12(18)7-11;1-5-3-9(12(14)15)7(10)4-8(5)11-6(2)13;1-6-3-4-8(10)5-9(6)11-7(2)12;1-12-6-3-5(10)7(13(14)15)2-4(6)8(9)11-12;8-5-2-6-4(3-9-10-6)1-7(5)11(12)13;1-4-2-7(10(11)12)5(8)3-6(4)9/h2-9H,1H3,(H,20,23)(H,21,22);3-4H,1-2H3,(H,11,13);3-5H,1-2H3,(H,11,12);2-3H,1H3;1-3H,(H,9,10);2-3H,9H2,1H3/b6-5+;;;;;
InChIKeyASPAWNHIHWNMPX-UHRCPJNSSA-N
XLogP13.68
TPSA361.06 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds9
Heavy Atoms90
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001317.99
LogP ≤ 513.68
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 158968262
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3-bromo-6-fluoro-1-methyl-5-nitroindazole;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropanecarboxamide;6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1-methylindazol-5-amine;6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;5-fluoro-2-methyl-4-nitroaniline;6-fluoro-5-nitro-1H-indazole
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1-(2,2-difluoroethyl)-3-fluoroindazol-5-amine;1-(2,2-difluoroethyl)-3-fluoro-5-nitroindazole;3-fluoro-5-nitro-2H-indazole;5-nitro-1H-indazole
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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-fluoro-1-methyl-5-nitroindazole;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;5-fluoro-2-methyl-4-nitroaniline;N-(5-fluoro-2-methyl-4-nitrophenyl)acetamide;N-(5-fluoro-2-methylphenyl)acetamide;6-fluoro-5-nitro-1H-indazole?
The IUPAC name of 3-bromo-6-fluoro-1-methyl-5-nitroindazole;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;5-fluoro-2-methyl-4-nitroaniline;N-(5-fluoro-2-methyl-4-nitrophenyl)acetamide;N-(5-fluoro-2-methylphenyl)acetamide;6-fluoro-5-nitro-1H-indazole (CID 157217505) is 3-bromo-6-fluoro-1-methyl-5-nitroindazole;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;5-fluoro-2-methyl-4-nitroaniline;N-(5-fluoro-2-methyl-4-nitrophenyl)acetamide;N-(5-fluoro-2-methylphenyl)acetamide;6-fluoro-5-nitro-1H-indazole.
What is the SMILES notation for 3-bromo-6-fluoro-1-methyl-5-nitroindazole;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;5-fluoro-2-methyl-4-nitroaniline;N-(5-fluoro-2-methyl-4-nitrophenyl)acetamide;N-(5-fluoro-2-methylphenyl)acetamide;6-fluoro-5-nitro-1H-indazole?
The canonical SMILES for 3-bromo-6-fluoro-1-methyl-5-nitroindazole;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;5-fluoro-2-methyl-4-nitroaniline;N-(5-fluoro-2-methyl-4-nitrophenyl)acetamide;N-(5-fluoro-2-methylphenyl)acetamide;6-fluoro-5-nitro-1H-indazole is CC(=O)Nc1cc(F)c([N+](=O)[O-])cc1C.CC(=O)Nc1cc(F)ccc1C.CC(=O)Nc1cc2c(/C=C/c3cccc(F)c3)n[nH]c2cc1F.Cc1cc([N+](=O)[O-])c(F)cc1N.Cn1nc(Br)c2cc([N+](=O)[O-])c(F)cc21.O=[N+]([O-])c1cc2cn[nH]c2cc1F.
What is the InChIKey of 3-bromo-6-fluoro-1-methyl-5-nitroindazole;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;5-fluoro-2-methyl-4-nitroaniline;N-(5-fluoro-2-methyl-4-nitrophenyl)acetamide;N-(5-fluoro-2-methylphenyl)acetamide;6-fluoro-5-nitro-1H-indazole?
The InChIKey is ASPAWNHIHWNMPX-UHRCPJNSSA-N. The full InChI is InChI=1S/C17H13F2N3O.C9H9FN2O3.C9H10FNO.C8H5BrFN3O2.C7H4FN3O2.C7H7FN2O2/c1-10(23)20-17-8-13-15(21-22-16(13)9-14(17)19)6-5-11-3-2-4-12(18)7-11;1-5-3-9(12(14)15)7(10)4-8(5)11-6(2)13;1-6-3-4-8(10)5-9(6)11-7(2)12;1-12-6-3-5(10)7(13(14)15)2-4(6)8(9)11-12;8-5-2-6-4(3-9-10-6)1-7(5)11(12)13;1-4-2-7(10(11)12)5(8)3-6(4)9/h2-9H,1H3,(H,20,23)(H,21,22);3-4H,1-2H3,(H,11,13);3-5H,1-2H3,(H,11,12);2-3H,1H3;1-3H,(H,9,10);2-3H,9H2,1H3/b6-5+;;;;;.
What are the key properties of 3-bromo-6-fluoro-1-methyl-5-nitroindazole;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;5-fluoro-2-methyl-4-nitroaniline;N-(5-fluoro-2-methyl-4-nitrophenyl)acetamide;N-(5-fluoro-2-methylphenyl)acetamide;6-fluoro-5-nitro-1H-indazole?
3-bromo-6-fluoro-1-methyl-5-nitroindazole;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;5-fluoro-2-methyl-4-nitroaniline;N-(5-fluoro-2-methyl-4-nitrophenyl)acetamide;N-(5-fluoro-2-methylphenyl)acetamide;6-fluoro-5-nitro-1H-indazole has a molecular weight of 1317.99 g/mol, XLogP of 13.68, 9 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-fluoro-1-methyl-5-nitroindazole;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;5-fluoro-2-methyl-4-nitroaniline;N-(5-fluoro-2-methyl-4-nitrophenyl)acetamide;N-(5-fluoro-2-methylphenyl)acetamide;6-fluoro-5-nitro-1H-indazole is sourced from PubChem (CID 157217505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).