3-bromo-6-fluoro-1-methyl-5-nitroindazole;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;N-(5-fluoro-2-methyl-4-nitrophenyl)acetamide;N-(5-fluoro-2-methylphenyl)acetamide;6-fluoro-5-nitro-1H-indazole

C72H59BrF9N17O12 — CID 158968262

IUPAC3-bromo-6-fluoro-1-methyl-5-nitroindazole;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;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.Cc1cc([N+](=O)[O-])c(F)cc1N.Cn1nc(/C=C/c2ccc(F)cc2)c2cc(N)c(F)cc21.Cn1nc(/C=C/c2ccc(F)cc2)c2cc([N+](=O)[O-])c(F)cc21.Cn1nc(Br)c2cc([N+](=O)[O-])c(F)cc21.O=[N+]([O-])c1cc2cn[nH]c2cc1F
InChIInChI=1S/C16H11F2N3O2.C16H13F2N3.C9H9FN2O3.C9H10FNO.C8H5BrFN3O2.C7H4FN3O2.C7H7FN2O2/c1-20-15-9-13(18)16(21(22)23)8-12(15)14(19-20)7-4-10-2-5-11(17)6-3-10;1-21-16-9-13(18)14(19)8-12(16)15(20-21)7-4-10-2-5-11(17)6-3-10;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;2-9H,19H2,1H3;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/b2*7-4+;;;;;
InChIKeyJNMDOVRFNMZJPK-GLBSYVMOSA-N
MW1605.26 g/mol
LogP17.25
Rot. Bonds11

About 3-bromo-6-fluoro-1-methyl-5-nitroindazole;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;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;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;N-(5-fluoro-2-methyl-4-nitrophenyl)acetamide;N-(5-fluoro-2-methylphenyl)acetamide;6-fluoro-5-nitro-1H-indazole (PubChem CID 158968262) has the molecular formula C72H59BrF9N17O12 and a molecular weight of 1605.26 g/mol. Its IUPAC name is 3-bromo-6-fluoro-1-methyl-5-nitroindazole;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;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;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;N-(5-fluoro-2-methyl-4-nitrophenyl)acetamide;N-(5-fluoro-2-methylphenyl)acetamide;6-fluoro-5-nitro-1H-indazole
PubChem CID158968262
Molecular FormulaC72H59BrF9N17O12
Molecular Weight1605.26 g/mol
Exact Mass1603.36
IUPAC Name3-bromo-6-fluoro-1-methyl-5-nitroindazole;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;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.Cc1cc([N+](=O)[O-])c(F)cc1N.Cn1nc(/C=C/c2ccc(F)cc2)c2cc(N)c(F)cc21.Cn1nc(/C=C/c2ccc(F)cc2)c2cc([N+](=O)[O-])c(F)cc21.Cn1nc(Br)c2cc([N+](=O)[O-])c(F)cc21.O=[N+]([O-])c1cc2cn[nH]c2cc1F
InChIInChI=1S/C16H11F2N3O2.C16H13F2N3.C9H9FN2O3.C9H10FNO.C8H5BrFN3O2.C7H4FN3O2.C7H7FN2O2/c1-20-15-9-13(18)16(21(22)23)8-12(15)14(19-20)7-4-10-2-5-11(17)6-3-10;1-21-16-9-13(18)14(19)8-12(16)15(20-21)7-4-10-2-5-11(17)6-3-10;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;2-9H,19H2,1H3;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/b2*7-4+;;;;;
InChIKeyJNMDOVRFNMZJPK-GLBSYVMOSA-N
XLogP17.25
TPSA408.08 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds11
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001605.26
LogP ≤ 517.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

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

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
1-ethyl-3-fluorobenzene;1-[(3-fluorophenyl)methyl]indazol-5-amine;1-[(3-fluorophenyl)methyl]-5-nitroindazole;5-nitro-1H-indazole
CID 157270317
3-fluoro-1-methylindazol-5-amine;3-fluoro-1-methyl-5-nitroindazole;3-fluoro-5-nitro-2H-indazole;5-nitro-1H-indazole
CID 157619127
acetyl chloride;5-nitro-1H-indazole;1-(5-nitroindazol-1-yl)ethanone;bis((5S)-4,5,6,7-tetrahydro-1H-indazol-5-amine)
CID 158029936
bis(1-(cyclohexylmethyl)-5-nitroindazole);5-nitro-1H-indazole
CID 158121214
1-benzylindazol-5-amine;1-benzyl-5-nitroindazole;2-benzyl-5-nitroindazole;bromomethylbenzene;methane;molecular hydrogen;5-nitro-1H-indazole
CID 158206146
1-benzylindazol-5-amine;1-benzyl-5-nitroindazole;2-benzyl-5-nitroindazole;bromomethylbenzene;deuterio(fluoro)methane;molecular hydrogen;5-nitro-1H-indazole
CID 158420467
6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1-methylindazol-5-amine;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;6-fluoro-1-methyl-5-nitro-3-[(E)-2-pyridin-3-ylethenyl]indazole
CID 159047432
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
CID 160692195
N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1-methylindazol-5-amine;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1-methyl-5-nitroindazole
CID 161083755
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
CID 161550800
1-ethyl-3-fluorobenzene;1-[(3-fluorophenyl)methyl]-5-nitroindazole;2-[(3-fluorophenyl)methyl]-5-nitroindazole;5-nitro-1H-indazole
CID 162122668

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-fluoro-1-methyl-5-nitroindazole;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;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;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;N-(5-fluoro-2-methyl-4-nitrophenyl)acetamide;N-(5-fluoro-2-methylphenyl)acetamide;6-fluoro-5-nitro-1H-indazole (CID 158968262) is 3-bromo-6-fluoro-1-methyl-5-nitroindazole;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;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;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;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;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;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.Cc1cc([N+](=O)[O-])c(F)cc1N.Cn1nc(/C=C/c2ccc(F)cc2)c2cc(N)c(F)cc21.Cn1nc(/C=C/c2ccc(F)cc2)c2cc([N+](=O)[O-])c(F)cc21.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;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;N-(5-fluoro-2-methyl-4-nitrophenyl)acetamide;N-(5-fluoro-2-methylphenyl)acetamide;6-fluoro-5-nitro-1H-indazole?
The InChIKey is JNMDOVRFNMZJPK-GLBSYVMOSA-N. The full InChI is InChI=1S/C16H11F2N3O2.C16H13F2N3.C9H9FN2O3.C9H10FNO.C8H5BrFN3O2.C7H4FN3O2.C7H7FN2O2/c1-20-15-9-13(18)16(21(22)23)8-12(15)14(19-20)7-4-10-2-5-11(17)6-3-10;1-21-16-9-13(18)14(19)8-12(16)15(20-21)7-4-10-2-5-11(17)6-3-10;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;2-9H,19H2,1H3;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/b2*7-4+;;;;;.
What are the key properties of 3-bromo-6-fluoro-1-methyl-5-nitroindazole;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;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;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;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 1605.26 g/mol, XLogP of 17.25, 11 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-fluoro-1-methyl-5-nitroindazole;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;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 158968262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).