bis(5-bromo-N-(2,6-difluorophenyl)thiophene-2-carboxamide);5-bromothiophene-2-carbonyl chloride;5-bromothiophene-2-carboxylic acid;2,6-difluoroaniline;3-(2-fluorophenyl)-1-methylpyrazole;bis([3-(2-fluorophenyl)-1-methylpyrazol-5-yl]boronic acid);5-(2-fluorophenyl)-1H-pyrazole;iodomethane

C78H61B2Br4ClF10IN11O9S4 — CID 161214424

About bis(5-bromo-N-(2,6-difluorophenyl)thiophene-2-carboxamide);5-bromothiophene-2-carbonyl chloride;5-bromothiophene-2-carboxylic acid;2,6-difluoroaniline;3-(2-fluorophenyl)-1-methylpyrazole;bis([3-(2-fluorophenyl)-1-methylpyrazol-5-yl]boronic acid);5-(2-fluorophenyl)-1H-pyrazole;iodomethane

bis(5-bromo-N-(2,6-difluorophenyl)thiophene-2-carboxamide);5-bromothiophene-2-carbonyl chloride;5-bromothiophene-2-carboxylic acid;2,6-difluoroaniline;3-(2-fluorophenyl)-1-methylpyrazole;bis([3-(2-fluorophenyl)-1-methylpyrazol-5-yl]boronic acid);5-(2-fluorophenyl)-1H-pyrazole;iodomethane (PubChem CID 161214424) has the molecular formula C78H61B2Br4ClF10IN11O9S4 and a molecular weight of 2118.26 g/mol. Its IUPAC name is bis(5-bromo-N-(2,6-difluorophenyl)thiophene-2-carboxamide);5-bromothiophene-2-carbonyl chloride;5-bromothiophene-2-carboxylic acid;2,6-difluoroaniline;3-(2-fluorophenyl)-1-methylpyrazole;bis([3-(2-fluorophenyl)-1-methylpyrazol-5-yl]boronic acid);5-(2-fluorophenyl)-1H-pyrazole;iodomethane.

Molecular Properties

• Compound Name: bis(5-bromo-N-(2,6-difluorophenyl)thiophene-2-carboxamide);5-bromothiophene-2-carbonyl chloride;5-bromothiophene-2-carboxylic acid;2,6-difluoroaniline;3-(2-fluorophenyl)-1-methylpyrazole;bis([3-(2-fluorophenyl)-1-methylpyrazol-5-yl]boronic acid);5-(2-fluorophenyl)-1H-pyrazole;iodomethane
• PubChem CID: 161214424
• Molecular Formula: C78H61B2Br4ClF10IN11O9S4
• Molecular Weight: 2118.26 g/mol
• Exact Mass: 2112.90
• IUPAC Name: bis(5-bromo-N-(2,6-difluorophenyl)thiophene-2-carboxamide);5-bromothiophene-2-carbonyl chloride;5-bromothiophene-2-carboxylic acid;2,6-difluoroaniline;3-(2-fluorophenyl)-1-methylpyrazole;bis([3-(2-fluorophenyl)-1-methylpyrazol-5-yl]boronic acid);5-(2-fluorophenyl)-1H-pyrazole;iodomethane
• SMILES: CI.Cn1ccc(-c2ccccc2F)n1.Cn1nc(-c2ccccc2F)cc1B(O)O.Cn1nc(-c2ccccc2F)cc1B(O)O.Fc1ccccc1-c1ccn[nH]1.Nc1c(F)cccc1F.O=C(Cl)c1ccc(Br)s1.O=C(Nc1c(F)cccc1F)c1ccc(Br)s1.O=C(Nc1c(F)cccc1F)c1ccc(Br)s1.O=C(O)c1ccc(Br)s1
• InChI: InChI=1S/2C11H6BrF2NOS.2C10H10BFN2O2.C10H9FN2.C9H7FN2.C6H5F2N.C5H2BrClOS.C5H3BrO2S.CH3I/c2*12-9-5-4-8(17-9)11(16)15-10-6(13)2-1-3-7(10)14;2*1-14-10(11(15)16)6-9(13-14)7-4-2-3-5-8(7)12;1-13-7-6-10(12-13)8-4-2-3-5-9(8)11;10-8-4-2-1-3-7(8)9-5-6-11-12-9;7-4-2-1-3-5(8)6(4)9;2*6-4-2-1-3(9-4)5(7)8;1-2/h2*1-5H,(H,15,16);2*2-6,15-16H,1H3;2-7H,1H3;1-6H,(H,11,12);1-3H,9H2;1-2H;1-2H,(H,7,8);1H3
• InChIKey: UWQYGLHQEPDKIR-UHFFFAOYSA-N
• XLogP: 20.03
• TPSA: 301.65 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 20
• Rotatable Bonds: 12
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2118.26
LogP ≤ 5	20.03
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(5-bromo-N-(2,6-difluorophenyl)thiophene-2-carboxamide);5-bromothiophene-2-carbonyl chloride;5-bromothiophene-2-carboxylic acid;2,6-difluoroaniline;3-(2-fluorophenyl)-1-methylpyrazole;bis([3-(2-fluorophenyl)-1-methylpyrazol-5-yl]boronic acid);5-(2-fluorophenyl)-1H-pyrazole;iodomethane?

The IUPAC name of bis(5-bromo-N-(2,6-difluorophenyl)thiophene-2-carboxamide);5-bromothiophene-2-carbonyl chloride;5-bromothiophene-2-carboxylic acid;2,6-difluoroaniline;3-(2-fluorophenyl)-1-methylpyrazole;bis([3-(2-fluorophenyl)-1-methylpyrazol-5-yl]boronic acid);5-(2-fluorophenyl)-1H-pyrazole;iodomethane (CID 161214424) is bis(5-bromo-N-(2,6-difluorophenyl)thiophene-2-carboxamide);5-bromothiophene-2-carbonyl chloride;5-bromothiophene-2-carboxylic acid;2,6-difluoroaniline;3-(2-fluorophenyl)-1-methylpyrazole;bis([3-(2-fluorophenyl)-1-methylpyrazol-5-yl]boronic acid);5-(2-fluorophenyl)-1H-pyrazole;iodomethane.

What is the SMILES notation for bis(5-bromo-N-(2,6-difluorophenyl)thiophene-2-carboxamide);5-bromothiophene-2-carbonyl chloride;5-bromothiophene-2-carboxylic acid;2,6-difluoroaniline;3-(2-fluorophenyl)-1-methylpyrazole;bis([3-(2-fluorophenyl)-1-methylpyrazol-5-yl]boronic acid);5-(2-fluorophenyl)-1H-pyrazole;iodomethane?

The canonical SMILES for bis(5-bromo-N-(2,6-difluorophenyl)thiophene-2-carboxamide);5-bromothiophene-2-carbonyl chloride;5-bromothiophene-2-carboxylic acid;2,6-difluoroaniline;3-(2-fluorophenyl)-1-methylpyrazole;bis([3-(2-fluorophenyl)-1-methylpyrazol-5-yl]boronic acid);5-(2-fluorophenyl)-1H-pyrazole;iodomethane is CI.Cn1ccc(-c2ccccc2F)n1.Cn1nc(-c2ccccc2F)cc1B(O)O.Cn1nc(-c2ccccc2F)cc1B(O)O.Fc1ccccc1-c1ccn[nH]1.Nc1c(F)cccc1F.O=C(Cl)c1ccc(Br)s1.O=C(Nc1c(F)cccc1F)c1ccc(Br)s1.O=C(Nc1c(F)cccc1F)c1ccc(Br)s1.O=C(O)c1ccc(Br)s1.

What is the InChIKey of bis(5-bromo-N-(2,6-difluorophenyl)thiophene-2-carboxamide);5-bromothiophene-2-carbonyl chloride;5-bromothiophene-2-carboxylic acid;2,6-difluoroaniline;3-(2-fluorophenyl)-1-methylpyrazole;bis([3-(2-fluorophenyl)-1-methylpyrazol-5-yl]boronic acid);5-(2-fluorophenyl)-1H-pyrazole;iodomethane?

The InChIKey is UWQYGLHQEPDKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H6BrF2NOS.2C10H10BFN2O2.C10H9FN2.C9H7FN2.C6H5F2N.C5H2BrClOS.C5H3BrO2S.CH3I/c2*12-9-5-4-8(17-9)11(16)15-10-6(13)2-1-3-7(10)14;2*1-14-10(11(15)16)6-9(13-14)7-4-2-3-5-8(7)12;1-13-7-6-10(12-13)8-4-2-3-5-9(8)11;10-8-4-2-1-3-7(8)9-5-6-11-12-9;7-4-2-1-3-5(8)6(4)9;2*6-4-2-1-3(9-4)5(7)8;1-2/h2*1-5H,(H,15,16);2*2-6,15-16H,1H3;2-7H,1H3;1-6H,(H,11,12);1-3H,9H2;1-2H;1-2H,(H,7,8);1H3.

What are the key properties of bis(5-bromo-N-(2,6-difluorophenyl)thiophene-2-carboxamide);5-bromothiophene-2-carbonyl chloride;5-bromothiophene-2-carboxylic acid;2,6-difluoroaniline;3-(2-fluorophenyl)-1-methylpyrazole;bis([3-(2-fluorophenyl)-1-methylpyrazol-5-yl]boronic acid);5-(2-fluorophenyl)-1H-pyrazole;iodomethane?

bis(5-bromo-N-(2,6-difluorophenyl)thiophene-2-carboxamide);5-bromothiophene-2-carbonyl chloride;5-bromothiophene-2-carboxylic acid;2,6-difluoroaniline;3-(2-fluorophenyl)-1-methylpyrazole;bis([3-(2-fluorophenyl)-1-methylpyrazol-5-yl]boronic acid);5-(2-fluorophenyl)-1H-pyrazole;iodomethane has a molecular weight of 2118.26 g/mol, XLogP of 20.03, 12 rotatable bonds, 9 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for bis(5-bromo-N-(2,6-difluorophenyl)thiophene-2-carboxamide);5-bromothiophene-2-carbonyl chloride;5-bromothiophene-2-carboxylic acid;2,6-difluoroaniline;3-(2-fluorophenyl)-1-methylpyrazole;bis([3-(2-fluorophenyl)-1-methylpyrazol-5-yl]boronic acid);5-(2-fluorophenyl)-1H-pyrazole;iodomethane is sourced from PubChem (CID 161214424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).