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

C73H55BrF9N17O9 — CID 160692195

IUPAC3-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
SMILESCc1cc([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=C(Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)C1CC1.O=[N+]([O-])c1cc2cn[nH]c2cc1F
InChIInChI=1S/C19H15F2N3O.C16H11F2N3O2.C16H13F2N3.C8H5BrFN3O2.C7H4FN3O2.C7H7FN2O2/c20-13-6-1-11(2-7-13)3-8-16-14-9-18(22-19(25)12-4-5-12)15(21)10-17(14)24-23-16;1-20-15-9-13(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;1-12-6-3-5(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/h1-3,6-10,12H,4-5H2,(H,22,25)(H,23,24);2-9H,1H3;2-9H,19H2,1H3;2-3H,1H3;1-3H,(H,9,10);2-3H,9H2,1H3/b8-3+;2*7-4+;;;
InChIKeyRPNWZVIDCWLVBM-JUBUJLIMSA-N
MW1565.24 g/mol
LogP17.51
Rot. Bonds12

About 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

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 (PubChem CID 160692195) has the molecular formula C73H55BrF9N17O9 and a molecular weight of 1565.24 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID160692195
Molecular FormulaC73H55BrF9N17O9
Molecular Weight1565.24 g/mol
Exact Mass1563.34
IUPAC Name3-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
SMILESCc1cc([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=C(Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)C1CC1.O=[N+]([O-])c1cc2cn[nH]c2cc1F
InChIInChI=1S/C19H15F2N3O.C16H11F2N3O2.C16H13F2N3.C8H5BrFN3O2.C7H4FN3O2.C7H7FN2O2/c20-13-6-1-11(2-7-13)3-8-16-14-9-18(22-19(25)12-4-5-12)15(21)10-17(14)24-23-16;1-20-15-9-13(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;1-12-6-3-5(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/h1-3,6-10,12H,4-5H2,(H,22,25)(H,23,24);2-9H,1H3;2-9H,19H2,1H3;2-3H,1H3;1-3H,(H,9,10);2-3H,9H2,1H3/b8-3+;2*7-4+;;;
InChIKeyRPNWZVIDCWLVBM-JUBUJLIMSA-N
XLogP17.51
TPSA364.52 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds12
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001565.24
LogP ≤ 517.51
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

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

5-bromo-1-[(4-fluorophenyl)methyl]indazole;5-bromo-1H-indazole;1-(bromomethyl)-4-fluorobenzene;2,2-difluoro-N-[(3S)-2-(4-fluorophenyl)-1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-2-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide;methanamine
CID 157643562
5-bromo-1-[(3-fluorophenyl)methyl]indazole;5-bromo-1H-indazole;1-(bromomethyl)-3-fluorobenzene;2,2-difluoro-N-[(3S)-2-(4-fluorophenyl)-1-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-2-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide;methanamine
CID 159438673
5-bromo-1-[(2-fluorophenyl)methyl]indazole;5-bromo-1H-indazole;1-(bromomethyl)-2-fluorobenzene;2,2-difluoro-N-[(3S)-2-(4-fluorophenyl)-1-[1-[(2-fluorophenyl)methyl]indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-2-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide;methanamine
CID 161385486
5-bromo-1-[(4-fluorophenyl)methyl]indazole;5-bromo-1H-indazole;1-(bromomethyl)-4-fluorobenzene;2,2-difluoro-N-[(2R,3S)-2-(4-fluorophenyl)-1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide;methanamine
CID 164966710
5-bromo-1-[(3-fluorophenyl)methyl]indazole;5-bromo-1H-indazole;1-(bromomethyl)-3-fluorobenzene;2,2-difluoro-N-[(2R,3S)-2-(4-fluorophenyl)-1-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide;methanamine
CID 165024774
5-bromo-1-[(2-fluorophenyl)methyl]indazole;5-bromo-1H-indazole;1-(bromomethyl)-2-fluorobenzene;2,2-difluoro-N-[(2R,3S)-2-(4-fluorophenyl)-1-[1-[(2-fluorophenyl)methyl]indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide;methanamine
CID 165084806
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
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
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is 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=C(Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)C1CC1.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-(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?
The InChIKey is RPNWZVIDCWLVBM-JUBUJLIMSA-N. The full InChI is InChI=1S/C19H15F2N3O.C16H11F2N3O2.C16H13F2N3.C8H5BrFN3O2.C7H4FN3O2.C7H7FN2O2/c20-13-6-1-11(2-7-13)3-8-16-14-9-18(22-19(25)12-4-5-12)15(21)10-17(14)24-23-16;1-20-15-9-13(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;1-12-6-3-5(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/h1-3,6-10,12H,4-5H2,(H,22,25)(H,23,24);2-9H,1H3;2-9H,19H2,1H3;2-3H,1H3;1-3H,(H,9,10);2-3H,9H2,1H3/b8-3+;2*7-4+;;;.
What are the key properties of 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?
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 has a molecular weight of 1565.24 g/mol, XLogP of 17.51, 12 rotatable bonds, 5 hydrogen bond donors, and 19 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-(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 is sourced from PubChem (CID 160692195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).