5-bromo-2-fluorobenzaldehyde;5-bromo-1H-indazole;5-bromo-1-methylindazole;5-bromo-2-methylindazole;ethane;1-methylindazole-5-carbaldehyde

C41H37Br4FN8O2 — CID 162031099

IUPAC5-bromo-2-fluorobenzaldehyde;5-bromo-1H-indazole;5-bromo-1-methylindazole;5-bromo-2-methylindazole;ethane;1-methylindazole-5-carbaldehyde
SMILESBrc1ccc2[nH]ncc2c1.CC.Cn1cc2cc(Br)ccc2n1.Cn1ncc2cc(Br)ccc21.Cn1ncc2cc(C=O)ccc21.O=Cc1cc(Br)ccc1F
InChIInChI=1S/C9H8N2O.2C8H7BrN2.C7H4BrFO.C7H5BrN2.C2H6/c1-11-9-3-2-7(6-12)4-8(9)5-10-11;1-11-5-6-4-7(9)2-3-8(6)10-11;1-11-8-3-2-7(9)4-6(8)5-10-11;8-6-1-2-7(9)5(3-6)4-10;8-6-1-2-7-5(3-6)4-9-10-7;1-2/h2-6H,1H3;2*2-5H,1H3;1-4H;1-4H,(H,9,10);1-2H3
InChIKeyYWANLVTUOIPASX-UHFFFAOYSA-N
MW1012.41 g/mol
LogP11.81
Rot. Bonds2

About 5-bromo-2-fluorobenzaldehyde;5-bromo-1H-indazole;5-bromo-1-methylindazole;5-bromo-2-methylindazole;ethane;1-methylindazole-5-carbaldehyde

5-bromo-2-fluorobenzaldehyde;5-bromo-1H-indazole;5-bromo-1-methylindazole;5-bromo-2-methylindazole;ethane;1-methylindazole-5-carbaldehyde (PubChem CID 162031099) has the molecular formula C41H37Br4FN8O2 and a molecular weight of 1012.41 g/mol. Its IUPAC name is 5-bromo-2-fluorobenzaldehyde;5-bromo-1H-indazole;5-bromo-1-methylindazole;5-bromo-2-methylindazole;ethane;1-methylindazole-5-carbaldehyde.

Molecular Properties

Compound Name5-bromo-2-fluorobenzaldehyde;5-bromo-1H-indazole;5-bromo-1-methylindazole;5-bromo-2-methylindazole;ethane;1-methylindazole-5-carbaldehyde
PubChem CID162031099
Molecular FormulaC41H37Br4FN8O2
Molecular Weight1012.41 g/mol
Exact Mass1007.98
IUPAC Name5-bromo-2-fluorobenzaldehyde;5-bromo-1H-indazole;5-bromo-1-methylindazole;5-bromo-2-methylindazole;ethane;1-methylindazole-5-carbaldehyde
SMILESBrc1ccc2[nH]ncc2c1.CC.Cn1cc2cc(Br)ccc2n1.Cn1ncc2cc(Br)ccc21.Cn1ncc2cc(C=O)ccc21.O=Cc1cc(Br)ccc1F
InChIInChI=1S/C9H8N2O.2C8H7BrN2.C7H4BrFO.C7H5BrN2.C2H6/c1-11-9-3-2-7(6-12)4-8(9)5-10-11;1-11-5-6-4-7(9)2-3-8(6)10-11;1-11-8-3-2-7(9)4-6(8)5-10-11;8-6-1-2-7(9)5(3-6)4-10;8-6-1-2-7-5(3-6)4-9-10-7;1-2/h2-6H,1H3;2*2-5H,1H3;1-4H;1-4H,(H,9,10);1-2H3
InChIKeyYWANLVTUOIPASX-UHFFFAOYSA-N
XLogP11.81
TPSA116.28 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001012.41
LogP ≤ 511.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 5-bromo-2-fluorobenzaldehyde;5-bromo-1H-indazole;5-bromo-1-methylindazole;5-bromo-2-methylindazole;ethane;1-methylindazole-5-carbaldehyde 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

1-benzyl-5-bromoindazole;3-(1-benzylindazol-5-yl)butan-2-one;3-(1H-indazol-5-yl)butan-2-one
CID 123243885
acetic acid;4-bromo-N-(cyclohexylideneamino)aniline;6-bromo-9-ethyl-1,2,3,4-tetrahydrocarbazole;(4-bromophenyl)hydrazine;6-bromo-2,3,4,9-tetrahydro-1H-carbazole;cyclohexanone;deuterio(fluoro)methane;9-ethyl-6-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,3,4-tetrahydrocarbazole;9-ethyl-5,6,7,8-tetrahydrocarbazole-3-carbaldehyde;3-(1H-pyrazol-5-yl)piperidine;hydrochloride
CID 157181701
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
2-[1-[[3-[(dimethylamino)methyl]phenyl]methyl]pyrazol-4-yl]-1-(1H-indazol-3-yl)ethanone;3-[[4-[2-oxo-2-(1-tritylindazol-3-yl)ethyl]pyrazol-1-yl]methyl]benzaldehyde
CID 158206538
4-bromo-2-(difluoromethyl)-1-fluorobenzene;5-bromo-2-fluorobenzaldehyde;4-[3-(difluoromethyl)-4-fluorophenyl]-1H-pyrazole;2-[[4-[3-(difluoromethyl)-4-fluorophenyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;3-[[4-[3-(difluoromethyl)-4-fluorophenyl]pyrazol-1-yl]methyl]-1-methylpyrazole
CID 158383652
5-bromo-2-fluorobenzaldehyde;5-bromo-1H-indazole;5-bromo-1-phenylindazole;diazene;2-ethoxyprop-1-ene;ethyl 2-oxopropanoate;methanol;molecular hydrogen;phenylboronic acid;1-(1-phenylindazol-5-yl)ethanone;1-(1-phenylindazol-5-yl)pentane-1,3,4-trione;hydrate
CID 158402545
5-bromo-6-fluoro-1H-indazole;tert-butyl 6-fluoro-5-formylindazole-1-carboxylate
CID 158411090
4-bromobenzaldehyde;5-bromo-1-(cyclopropylmethyl)indazole;5-bromo-2-(cyclopropylmethyl)indazole;5-bromo-1H-indazole;bromomethylcyclopropane;4-[1-(cyclopropylmethyl)indazol-5-yl]benzaldehyde;1-(cyclopropylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 158442661
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
5-bromo-2,3-difluorobenzaldehyde;5-bromo-7-fluoro-1H-indazole;5-bromo-7-fluoro-1-methylindazole;2,3-difluorobenzaldehyde;7-fluoro-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 159147841
5-bromo-6-fluoro-1H-indazole;tert-butyl 6-fluoro-5-formylindazole-1-carboxylate;methane
CID 159554761

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluorobenzaldehyde;5-bromo-1H-indazole;5-bromo-1-methylindazole;5-bromo-2-methylindazole;ethane;1-methylindazole-5-carbaldehyde?
The IUPAC name of 5-bromo-2-fluorobenzaldehyde;5-bromo-1H-indazole;5-bromo-1-methylindazole;5-bromo-2-methylindazole;ethane;1-methylindazole-5-carbaldehyde (CID 162031099) is 5-bromo-2-fluorobenzaldehyde;5-bromo-1H-indazole;5-bromo-1-methylindazole;5-bromo-2-methylindazole;ethane;1-methylindazole-5-carbaldehyde.
What is the SMILES notation for 5-bromo-2-fluorobenzaldehyde;5-bromo-1H-indazole;5-bromo-1-methylindazole;5-bromo-2-methylindazole;ethane;1-methylindazole-5-carbaldehyde?
The canonical SMILES for 5-bromo-2-fluorobenzaldehyde;5-bromo-1H-indazole;5-bromo-1-methylindazole;5-bromo-2-methylindazole;ethane;1-methylindazole-5-carbaldehyde is Brc1ccc2[nH]ncc2c1.CC.Cn1cc2cc(Br)ccc2n1.Cn1ncc2cc(Br)ccc21.Cn1ncc2cc(C=O)ccc21.O=Cc1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-2-fluorobenzaldehyde;5-bromo-1H-indazole;5-bromo-1-methylindazole;5-bromo-2-methylindazole;ethane;1-methylindazole-5-carbaldehyde?
The InChIKey is YWANLVTUOIPASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O.2C8H7BrN2.C7H4BrFO.C7H5BrN2.C2H6/c1-11-9-3-2-7(6-12)4-8(9)5-10-11;1-11-5-6-4-7(9)2-3-8(6)10-11;1-11-8-3-2-7(9)4-6(8)5-10-11;8-6-1-2-7(9)5(3-6)4-10;8-6-1-2-7-5(3-6)4-9-10-7;1-2/h2-6H,1H3;2*2-5H,1H3;1-4H;1-4H,(H,9,10);1-2H3.
What are the key properties of 5-bromo-2-fluorobenzaldehyde;5-bromo-1H-indazole;5-bromo-1-methylindazole;5-bromo-2-methylindazole;ethane;1-methylindazole-5-carbaldehyde?
5-bromo-2-fluorobenzaldehyde;5-bromo-1H-indazole;5-bromo-1-methylindazole;5-bromo-2-methylindazole;ethane;1-methylindazole-5-carbaldehyde has a molecular weight of 1012.41 g/mol, XLogP of 11.81, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluorobenzaldehyde;5-bromo-1H-indazole;5-bromo-1-methylindazole;5-bromo-2-methylindazole;ethane;1-methylindazole-5-carbaldehyde is sourced from PubChem (CID 162031099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).