dipotassium;2-bromo-1-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]ethanone;1-(3,4-difluorophenyl)ethanone;1-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]ethanone;hydride;5-methyl-3H-pyrrole;molecular bromine;oxido formate

C38H36Br3F4K2N5O6 — CID 158747368

About dipotassium;2-bromo-1-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]ethanone;1-(3,4-difluorophenyl)ethanone;1-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]ethanone;hydride;5-methyl-3H-pyrrole;molecular bromine;oxido formate

dipotassium;2-bromo-1-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]ethanone;1-(3,4-difluorophenyl)ethanone;1-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]ethanone;hydride;5-methyl-3H-pyrrole;molecular bromine;oxido formate (PubChem CID 158747368) has the molecular formula C38H36Br3F4K2N5O6 and a molecular weight of 1052.63 g/mol. Its IUPAC name is dipotassium;2-bromo-1-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]ethanone;1-(3,4-difluorophenyl)ethanone;1-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]ethanone;hydride;5-methyl-3H-pyrrole;molecular bromine;oxido formate.

Molecular Properties

• Compound Name: dipotassium;2-bromo-1-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]ethanone;1-(3,4-difluorophenyl)ethanone;1-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]ethanone;hydride;5-methyl-3H-pyrrole;molecular bromine;oxido formate
• PubChem CID: 158747368
• Molecular Formula: C38H36Br3F4K2N5O6
• Molecular Weight: 1052.63 g/mol
• Exact Mass: 1048.94
• IUPAC Name: dipotassium;2-bromo-1-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]ethanone;1-(3,4-difluorophenyl)ethanone;1-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]ethanone;hydride;5-methyl-3H-pyrrole;molecular bromine;oxido formate
• SMILES: BrBr.CC(=O)c1ccc(-n2cnc(C)c2)c(F)c1.CC(=O)c1ccc(F)c(F)c1.CC1=CCC=N1.Cc1cn(-c2ccc(C(=O)CBr)cc2F)cn1.O=CO[O-].[H-].[K+].[K+]
• InChI: InChI=1S/C12H10BrFN2O.C12H11FN2O.C8H6F2O.C5H7N.CH2O3.Br2.2K.H/c1-8-6-16(7-15-8)11-3-2-9(4-10(11)14)12(17)5-13;1-8-6-15(7-14-8)12-4-3-10(9(2)16)5-11(12)13;1-5(11)6-2-3-7(9)8(10)4-6;1-5-3-2-4-6-5;2-1-4-3;1-2;;;/h2-4,6-7H,5H2,1H3;3-7H,1-2H3;2-4H,1H3;3-4H,2H2,1H3;1,3H;;;;/q;;;;;;2*+1;-1/p-1
• InChIKey: CSQUHJIYUWFDTC-UHFFFAOYSA-M
• XLogP: 3.20
• TPSA: 148.57 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1052.63
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;2-bromo-1-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]ethanone;1-(3,4-difluorophenyl)ethanone;1-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]ethanone;hydride;5-methyl-3H-pyrrole;molecular bromine;oxido formate?

The IUPAC name of dipotassium;2-bromo-1-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]ethanone;1-(3,4-difluorophenyl)ethanone;1-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]ethanone;hydride;5-methyl-3H-pyrrole;molecular bromine;oxido formate (CID 158747368) is dipotassium;2-bromo-1-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]ethanone;1-(3,4-difluorophenyl)ethanone;1-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]ethanone;hydride;5-methyl-3H-pyrrole;molecular bromine;oxido formate.

What is the SMILES notation for dipotassium;2-bromo-1-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]ethanone;1-(3,4-difluorophenyl)ethanone;1-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]ethanone;hydride;5-methyl-3H-pyrrole;molecular bromine;oxido formate?

The canonical SMILES for dipotassium;2-bromo-1-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]ethanone;1-(3,4-difluorophenyl)ethanone;1-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]ethanone;hydride;5-methyl-3H-pyrrole;molecular bromine;oxido formate is BrBr.CC(=O)c1ccc(-n2cnc(C)c2)c(F)c1.CC(=O)c1ccc(F)c(F)c1.CC1=CCC=N1.Cc1cn(-c2ccc(C(=O)CBr)cc2F)cn1.O=CO[O-].[H-].[K+].[K+].

What is the InChIKey of dipotassium;2-bromo-1-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]ethanone;1-(3,4-difluorophenyl)ethanone;1-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]ethanone;hydride;5-methyl-3H-pyrrole;molecular bromine;oxido formate?

The InChIKey is CSQUHJIYUWFDTC-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H10BrFN2O.C12H11FN2O.C8H6F2O.C5H7N.CH2O3.Br2.2K.H/c1-8-6-16(7-15-8)11-3-2-9(4-10(11)14)12(17)5-13;1-8-6-15(7-14-8)12-4-3-10(9(2)16)5-11(12)13;1-5(11)6-2-3-7(9)8(10)4-6;1-5-3-2-4-6-5;2-1-4-3;1-2;;;/h2-4,6-7H,5H2,1H3;3-7H,1-2H3;2-4H,1H3;3-4H,2H2,1H3;1,3H;;;;/q;;;;;;2*+1;-1/p-1.

What are the key properties of dipotassium;2-bromo-1-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]ethanone;1-(3,4-difluorophenyl)ethanone;1-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]ethanone;hydride;5-methyl-3H-pyrrole;molecular bromine;oxido formate?

dipotassium;2-bromo-1-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]ethanone;1-(3,4-difluorophenyl)ethanone;1-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]ethanone;hydride;5-methyl-3H-pyrrole;molecular bromine;oxido formate has a molecular weight of 1052.63 g/mol, XLogP of 3.20, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;2-bromo-1-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]ethanone;1-(3,4-difluorophenyl)ethanone;1-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]ethanone;hydride;5-methyl-3H-pyrrole;molecular bromine;oxido formate is sourced from PubChem (CID 158747368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).