5-bromo-2,3-difluorobenzaldehyde;(6-bromo-2,3-difluorophenyl)-trimethylsilane;5-bromo-2,3-difluoro-4-trimethylsilylbenzaldehyde;3-bromo-7-fluoro-5-isocyano-2H-indazole;3-bromo-7-fluoro-5-isocyano-1-methylindazole;3,4-difluoro-5-formylbenzonitrile;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;7-fluoro-5-isocyano-1H-indazole

C75H51Br5F13N13O4Si2 — CID 158637339

IUPAC5-bromo-2,3-difluorobenzaldehyde;(6-bromo-2,3-difluorophenyl)-trimethylsilane;5-bromo-2,3-difluoro-4-trimethylsilylbenzaldehyde;3-bromo-7-fluoro-5-isocyano-2H-indazole;3-bromo-7-fluoro-5-isocyano-1-methylindazole;3,4-difluoro-5-formylbenzonitrile;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;7-fluoro-5-isocyano-1H-indazole
SMILESC[Si](C)(C)c1c(Br)cc(C=O)c(F)c1F.C[Si](C)(C)c1c(Br)ccc(F)c1F.N#Cc1cc(F)c(F)c(C=O)c1.NC(=O)c1cc2c(/C=C/c3cccc(F)c3)n[nH]c2cc1F.O=Cc1cc(Br)cc(F)c1F.[C-]#[N+]c1cc(F)c2[nH]ncc2c1.[C-]#[N+]c1cc(F)c2c(c1)c(Br)nn2C.[C-]#[N+]c1cc(F)c2n[nH]c(Br)c2c1
InChIInChI=1S/C16H11F2N3O.C10H11BrF2OSi.C9H11BrF2Si.C9H5BrFN3.C8H3BrFN3.C8H3F2NO.C8H4FN3.C7H3BrF2O/c17-10-3-1-2-9(6-10)4-5-14-12-7-11(16(19)22)13(18)8-15(12)21-20-14;1-15(2,3)10-7(11)4-6(5-14)8(12)9(10)13;1-13(2,3)9-6(10)4-5-7(11)8(9)12;1-12-5-3-6-8(7(11)4-5)14(2)13-9(6)10;1-11-4-2-5-7(6(10)3-4)12-13-8(5)9;9-7-2-5(3-11)1-6(4-12)8(7)10;1-10-6-2-5-4-11-12-8(5)7(9)3-6;8-5-1-4(3-11)7(10)6(9)2-5/h1-8H,(H2,19,22)(H,20,21);4-5H,1-3H3;4-5H,1-3H3;3-4H,2H3;2-3H,(H,12,13);1-2,4H;2-4H,(H,11,12);1-3H/b5-4+;;;;;;;
InChIKeyHZXXNFWSOQJXDL-SCBJGMDHSA-N
MW1900.99 g/mol
LogP21.95
Rot. Bonds8

About 5-bromo-2,3-difluorobenzaldehyde;(6-bromo-2,3-difluorophenyl)-trimethylsilane;5-bromo-2,3-difluoro-4-trimethylsilylbenzaldehyde;3-bromo-7-fluoro-5-isocyano-2H-indazole;3-bromo-7-fluoro-5-isocyano-1-methylindazole;3,4-difluoro-5-formylbenzonitrile;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;7-fluoro-5-isocyano-1H-indazole

5-bromo-2,3-difluorobenzaldehyde;(6-bromo-2,3-difluorophenyl)-trimethylsilane;5-bromo-2,3-difluoro-4-trimethylsilylbenzaldehyde;3-bromo-7-fluoro-5-isocyano-2H-indazole;3-bromo-7-fluoro-5-isocyano-1-methylindazole;3,4-difluoro-5-formylbenzonitrile;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;7-fluoro-5-isocyano-1H-indazole (PubChem CID 158637339) has the molecular formula C75H51Br5F13N13O4Si2 and a molecular weight of 1900.99 g/mol. Its IUPAC name is 5-bromo-2,3-difluorobenzaldehyde;(6-bromo-2,3-difluorophenyl)-trimethylsilane;5-bromo-2,3-difluoro-4-trimethylsilylbenzaldehyde;3-bromo-7-fluoro-5-isocyano-2H-indazole;3-bromo-7-fluoro-5-isocyano-1-methylindazole;3,4-difluoro-5-formylbenzonitrile;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;7-fluoro-5-isocyano-1H-indazole.

Molecular Properties

Compound Name5-bromo-2,3-difluorobenzaldehyde;(6-bromo-2,3-difluorophenyl)-trimethylsilane;5-bromo-2,3-difluoro-4-trimethylsilylbenzaldehyde;3-bromo-7-fluoro-5-isocyano-2H-indazole;3-bromo-7-fluoro-5-isocyano-1-methylindazole;3,4-difluoro-5-formylbenzonitrile;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;7-fluoro-5-isocyano-1H-indazole
PubChem CID158637339
Molecular FormulaC75H51Br5F13N13O4Si2
Molecular Weight1900.99 g/mol
Exact Mass1894.94
IUPAC Name5-bromo-2,3-difluorobenzaldehyde;(6-bromo-2,3-difluorophenyl)-trimethylsilane;5-bromo-2,3-difluoro-4-trimethylsilylbenzaldehyde;3-bromo-7-fluoro-5-isocyano-2H-indazole;3-bromo-7-fluoro-5-isocyano-1-methylindazole;3,4-difluoro-5-formylbenzonitrile;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;7-fluoro-5-isocyano-1H-indazole
SMILESC[Si](C)(C)c1c(Br)cc(C=O)c(F)c1F.C[Si](C)(C)c1c(Br)ccc(F)c1F.N#Cc1cc(F)c(F)c(C=O)c1.NC(=O)c1cc2c(/C=C/c3cccc(F)c3)n[nH]c2cc1F.O=Cc1cc(Br)cc(F)c1F.[C-]#[N+]c1cc(F)c2[nH]ncc2c1.[C-]#[N+]c1cc(F)c2c(c1)c(Br)nn2C.[C-]#[N+]c1cc(F)c2n[nH]c(Br)c2c1
InChIInChI=1S/C16H11F2N3O.C10H11BrF2OSi.C9H11BrF2Si.C9H5BrFN3.C8H3BrFN3.C8H3F2NO.C8H4FN3.C7H3BrF2O/c17-10-3-1-2-9(6-10)4-5-14-12-7-11(16(19)22)13(18)8-15(12)21-20-14;1-15(2,3)10-7(11)4-6(5-14)8(12)9(10)13;1-13(2,3)9-6(10)4-5-7(11)8(9)12;1-12-5-3-6-8(7(11)4-5)14(2)13-9(6)10;1-11-4-2-5-7(6(10)3-4)12-13-8(5)9;9-7-2-5(3-11)1-6(4-12)8(7)10;1-10-6-2-5-4-11-12-8(5)7(9)3-6;8-5-1-4(3-11)7(10)6(9)2-5/h1-8H,(H2,19,22)(H,20,21);4-5H,1-3H3;4-5H,1-3H3;3-4H,2H3;2-3H,(H,12,13);1-2,4H;2-4H,(H,11,12);1-3H/b5-4+;;;;;;;
InChIKeyHZXXNFWSOQJXDL-SCBJGMDHSA-N
XLogP21.95
TPSA235.03 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001900.99
LogP ≤ 521.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 5-bromo-2,3-difluorobenzaldehyde;(6-bromo-2,3-difluorophenyl)-trimethylsilane;5-bromo-2,3-difluoro-4-trimethylsilylbenzaldehyde;3-bromo-7-fluoro-5-isocyano-2H-indazole;3-bromo-7-fluoro-5-isocyano-1-methylindazole;3,4-difluoro-5-formylbenzonitrile;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;7-fluoro-5-isocyano-1H-indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-fluorobenzaldehyde;5-bromo-1H-indazole;5-bromo-1-methylindazole;5-bromo-2-methylindazole;chloromethane;hydroxylamine;1-methylindazole-5-carbaldehyde
CID 157341033
dipotassium;5-bromo-2-fluorobenzaldehyde;5-bromo-1H-indazole;5-bromo-1-methylindazole;5-bromo-2-methylindazole;ethane;hydride;hydroxylamine;methane;1-methylindazole-5-carbaldehyde;oxido formate
CID 157635928
5-bromo-2,4-difluorobenzaldehyde;3-bromo-6-fluoro-1-methylindazole-5-carbonitrile;2,4-difluoro-3-formylbenzonitrile;2,4-difluoro-5-formylbenzonitrile;4-fluoro-1H-indazole-5-carbonitrile;6-fluoro-1H-indazole-5-carbonitrile;methyl 4-fluoro-1H-indazole-5-carboxylate
CID 159796619
5-bromo-2-fluorobenzaldehyde;5-bromo-1H-indazole;5-bromo-1-methylindazole;5-bromo-2-methylindazole;ethane;1-methylindazole-5-carbaldehyde
CID 162031099
5-bromo-2-fluorobenzaldehyde;5-bromo-1H-indazole;5-bromo-1-methylindazole;5-bromo-2-methylindazole;ethane;hydroxylamine;1-methylindazole-5-carbaldehyde
CID 162204210
5-bromo-2,3-difluorobenzaldehyde;1-(5-bromo-2,3-difluorophenyl)-N-methoxymethanimine;5-bromo-7-fluoro-1H-indazole;5-bromo-7-fluoro-2-methylindazole;7-fluoro-2-methylindazol-5-amine;N-(7-fluoro-2-methylindazol-5-yl)-1,1-diphenylmethanimine;hydrochloride
CID 168398394

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,3-difluorobenzaldehyde;(6-bromo-2,3-difluorophenyl)-trimethylsilane;5-bromo-2,3-difluoro-4-trimethylsilylbenzaldehyde;3-bromo-7-fluoro-5-isocyano-2H-indazole;3-bromo-7-fluoro-5-isocyano-1-methylindazole;3,4-difluoro-5-formylbenzonitrile;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;7-fluoro-5-isocyano-1H-indazole?
The IUPAC name of 5-bromo-2,3-difluorobenzaldehyde;(6-bromo-2,3-difluorophenyl)-trimethylsilane;5-bromo-2,3-difluoro-4-trimethylsilylbenzaldehyde;3-bromo-7-fluoro-5-isocyano-2H-indazole;3-bromo-7-fluoro-5-isocyano-1-methylindazole;3,4-difluoro-5-formylbenzonitrile;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;7-fluoro-5-isocyano-1H-indazole (CID 158637339) is 5-bromo-2,3-difluorobenzaldehyde;(6-bromo-2,3-difluorophenyl)-trimethylsilane;5-bromo-2,3-difluoro-4-trimethylsilylbenzaldehyde;3-bromo-7-fluoro-5-isocyano-2H-indazole;3-bromo-7-fluoro-5-isocyano-1-methylindazole;3,4-difluoro-5-formylbenzonitrile;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;7-fluoro-5-isocyano-1H-indazole.
What is the SMILES notation for 5-bromo-2,3-difluorobenzaldehyde;(6-bromo-2,3-difluorophenyl)-trimethylsilane;5-bromo-2,3-difluoro-4-trimethylsilylbenzaldehyde;3-bromo-7-fluoro-5-isocyano-2H-indazole;3-bromo-7-fluoro-5-isocyano-1-methylindazole;3,4-difluoro-5-formylbenzonitrile;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;7-fluoro-5-isocyano-1H-indazole?
The canonical SMILES for 5-bromo-2,3-difluorobenzaldehyde;(6-bromo-2,3-difluorophenyl)-trimethylsilane;5-bromo-2,3-difluoro-4-trimethylsilylbenzaldehyde;3-bromo-7-fluoro-5-isocyano-2H-indazole;3-bromo-7-fluoro-5-isocyano-1-methylindazole;3,4-difluoro-5-formylbenzonitrile;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;7-fluoro-5-isocyano-1H-indazole is C[Si](C)(C)c1c(Br)cc(C=O)c(F)c1F.C[Si](C)(C)c1c(Br)ccc(F)c1F.N#Cc1cc(F)c(F)c(C=O)c1.NC(=O)c1cc2c(/C=C/c3cccc(F)c3)n[nH]c2cc1F.O=Cc1cc(Br)cc(F)c1F.[C-]#[N+]c1cc(F)c2[nH]ncc2c1.[C-]#[N+]c1cc(F)c2c(c1)c(Br)nn2C.[C-]#[N+]c1cc(F)c2n[nH]c(Br)c2c1.
What is the InChIKey of 5-bromo-2,3-difluorobenzaldehyde;(6-bromo-2,3-difluorophenyl)-trimethylsilane;5-bromo-2,3-difluoro-4-trimethylsilylbenzaldehyde;3-bromo-7-fluoro-5-isocyano-2H-indazole;3-bromo-7-fluoro-5-isocyano-1-methylindazole;3,4-difluoro-5-formylbenzonitrile;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;7-fluoro-5-isocyano-1H-indazole?
The InChIKey is HZXXNFWSOQJXDL-SCBJGMDHSA-N. The full InChI is InChI=1S/C16H11F2N3O.C10H11BrF2OSi.C9H11BrF2Si.C9H5BrFN3.C8H3BrFN3.C8H3F2NO.C8H4FN3.C7H3BrF2O/c17-10-3-1-2-9(6-10)4-5-14-12-7-11(16(19)22)13(18)8-15(12)21-20-14;1-15(2,3)10-7(11)4-6(5-14)8(12)9(10)13;1-13(2,3)9-6(10)4-5-7(11)8(9)12;1-12-5-3-6-8(7(11)4-5)14(2)13-9(6)10;1-11-4-2-5-7(6(10)3-4)12-13-8(5)9;9-7-2-5(3-11)1-6(4-12)8(7)10;1-10-6-2-5-4-11-12-8(5)7(9)3-6;8-5-1-4(3-11)7(10)6(9)2-5/h1-8H,(H2,19,22)(H,20,21);4-5H,1-3H3;4-5H,1-3H3;3-4H,2H3;2-3H,(H,12,13);1-2,4H;2-4H,(H,11,12);1-3H/b5-4+;;;;;;;.
What are the key properties of 5-bromo-2,3-difluorobenzaldehyde;(6-bromo-2,3-difluorophenyl)-trimethylsilane;5-bromo-2,3-difluoro-4-trimethylsilylbenzaldehyde;3-bromo-7-fluoro-5-isocyano-2H-indazole;3-bromo-7-fluoro-5-isocyano-1-methylindazole;3,4-difluoro-5-formylbenzonitrile;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;7-fluoro-5-isocyano-1H-indazole?
5-bromo-2,3-difluorobenzaldehyde;(6-bromo-2,3-difluorophenyl)-trimethylsilane;5-bromo-2,3-difluoro-4-trimethylsilylbenzaldehyde;3-bromo-7-fluoro-5-isocyano-2H-indazole;3-bromo-7-fluoro-5-isocyano-1-methylindazole;3,4-difluoro-5-formylbenzonitrile;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;7-fluoro-5-isocyano-1H-indazole has a molecular weight of 1900.99 g/mol, XLogP of 21.95, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,3-difluorobenzaldehyde;(6-bromo-2,3-difluorophenyl)-trimethylsilane;5-bromo-2,3-difluoro-4-trimethylsilylbenzaldehyde;3-bromo-7-fluoro-5-isocyano-2H-indazole;3-bromo-7-fluoro-5-isocyano-1-methylindazole;3,4-difluoro-5-formylbenzonitrile;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;7-fluoro-5-isocyano-1H-indazole is sourced from PubChem (CID 158637339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).