potassium;1-(2-amino-5-bromo-3-fluorophenyl)ethanone;1-(2-amino-5-cyclopropyl-3-fluorophenyl)ethanone;5-(2-chloro-6-cyclopropyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;cyclopropyl(difluoro)borane;2-(3-methyl-1,2,4-oxadiazol-5-yl)acetic acid;fluoride

C43H43BBrClF6KN7O6 — CID 159977255

IUPACpotassium;1-(2-amino-5-bromo-3-fluorophenyl)ethanone;1-(2-amino-5-cyclopropyl-3-fluorophenyl)ethanone;5-(2-chloro-6-cyclopropyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;cyclopropyl(difluoro)borane;2-(3-methyl-1,2,4-oxadiazol-5-yl)acetic acid;fluoride
SMILESCC(=O)c1cc(Br)cc(F)c1N.CC(=O)c1cc(C2CC2)cc(F)c1N.Cc1noc(-c2c(Cl)nc3c(F)cc(C4CC4)cc3c2C)n1.Cc1noc(CC(=O)O)n1.FB(F)C1CC1.[F-].[K+]
InChIInChI=1S/C16H13ClFN3O.C11H12FNO.C8H7BrFNO.C5H6N2O3.C3H5BF2.FH.K/c1-7-11-5-10(9-3-4-9)6-12(18)14(11)20-15(17)13(7)16-19-8(2)21-22-16;1-6(14)9-4-8(7-2-3-7)5-10(12)11(9)13;1-4(12)6-2-5(9)3-7(10)8(6)11;1-3-6-4(10-7-3)2-5(8)9;5-4(6)3-1-2-3;;/h5-6,9H,3-4H2,1-2H3;4-5,7H,2-3,13H2,1H3;2-3H,11H2,1H3;2H2,1H3,(H,8,9);3H,1-2H2;1H;/q;;;;;;+1/p-1
InChIKeySZDCKTWVRUHOET-UHFFFAOYSA-M
MW1033.11 g/mol
LogP5.02
Rot. Bonds8

About potassium;1-(2-amino-5-bromo-3-fluorophenyl)ethanone;1-(2-amino-5-cyclopropyl-3-fluorophenyl)ethanone;5-(2-chloro-6-cyclopropyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;cyclopropyl(difluoro)borane;2-(3-methyl-1,2,4-oxadiazol-5-yl)acetic acid;fluoride

potassium;1-(2-amino-5-bromo-3-fluorophenyl)ethanone;1-(2-amino-5-cyclopropyl-3-fluorophenyl)ethanone;5-(2-chloro-6-cyclopropyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;cyclopropyl(difluoro)borane;2-(3-methyl-1,2,4-oxadiazol-5-yl)acetic acid;fluoride (PubChem CID 159977255) has the molecular formula C43H43BBrClF6KN7O6 and a molecular weight of 1033.11 g/mol. Its IUPAC name is potassium;1-(2-amino-5-bromo-3-fluorophenyl)ethanone;1-(2-amino-5-cyclopropyl-3-fluorophenyl)ethanone;5-(2-chloro-6-cyclopropyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;cyclopropyl(difluoro)borane;2-(3-methyl-1,2,4-oxadiazol-5-yl)acetic acid;fluoride.

Molecular Properties

Compound Namepotassium;1-(2-amino-5-bromo-3-fluorophenyl)ethanone;1-(2-amino-5-cyclopropyl-3-fluorophenyl)ethanone;5-(2-chloro-6-cyclopropyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;cyclopropyl(difluoro)borane;2-(3-methyl-1,2,4-oxadiazol-5-yl)acetic acid;fluoride
PubChem CID159977255
Molecular FormulaC43H43BBrClF6KN7O6
Molecular Weight1033.11 g/mol
Exact Mass1031.18
IUPAC Namepotassium;1-(2-amino-5-bromo-3-fluorophenyl)ethanone;1-(2-amino-5-cyclopropyl-3-fluorophenyl)ethanone;5-(2-chloro-6-cyclopropyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;cyclopropyl(difluoro)borane;2-(3-methyl-1,2,4-oxadiazol-5-yl)acetic acid;fluoride
SMILESCC(=O)c1cc(Br)cc(F)c1N.CC(=O)c1cc(C2CC2)cc(F)c1N.Cc1noc(-c2c(Cl)nc3c(F)cc(C4CC4)cc3c2C)n1.Cc1noc(CC(=O)O)n1.FB(F)C1CC1.[F-].[K+]
InChIInChI=1S/C16H13ClFN3O.C11H12FNO.C8H7BrFNO.C5H6N2O3.C3H5BF2.FH.K/c1-7-11-5-10(9-3-4-9)6-12(18)14(11)20-15(17)13(7)16-19-8(2)21-22-16;1-6(14)9-4-8(7-2-3-7)5-10(12)11(9)13;1-4(12)6-2-5(9)3-7(10)8(6)11;1-3-6-4(10-7-3)2-5(8)9;5-4(6)3-1-2-3;;/h5-6,9H,3-4H2,1-2H3;4-5,7H,2-3,13H2,1H3;2-3H,11H2,1H3;2H2,1H3,(H,8,9);3H,1-2H2;1H;/q;;;;;;+1/p-1
InChIKeySZDCKTWVRUHOET-UHFFFAOYSA-M
XLogP5.02
TPSA214.21 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001033.11
LogP ≤ 55.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze potassium;1-(2-amino-5-bromo-3-fluorophenyl)ethanone;1-(2-amino-5-cyclopropyl-3-fluorophenyl)ethanone;5-(2-chloro-6-cyclopropyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;cyclopropyl(difluoro)borane;2-(3-methyl-1,2,4-oxadiazol-5-yl)acetic acid;fluoride with MolForge

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Frequently Asked Questions

What is the IUPAC name of potassium;1-(2-amino-5-bromo-3-fluorophenyl)ethanone;1-(2-amino-5-cyclopropyl-3-fluorophenyl)ethanone;5-(2-chloro-6-cyclopropyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;cyclopropyl(difluoro)borane;2-(3-methyl-1,2,4-oxadiazol-5-yl)acetic acid;fluoride?
The IUPAC name of potassium;1-(2-amino-5-bromo-3-fluorophenyl)ethanone;1-(2-amino-5-cyclopropyl-3-fluorophenyl)ethanone;5-(2-chloro-6-cyclopropyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;cyclopropyl(difluoro)borane;2-(3-methyl-1,2,4-oxadiazol-5-yl)acetic acid;fluoride (CID 159977255) is potassium;1-(2-amino-5-bromo-3-fluorophenyl)ethanone;1-(2-amino-5-cyclopropyl-3-fluorophenyl)ethanone;5-(2-chloro-6-cyclopropyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;cyclopropyl(difluoro)borane;2-(3-methyl-1,2,4-oxadiazol-5-yl)acetic acid;fluoride.
What is the SMILES notation for potassium;1-(2-amino-5-bromo-3-fluorophenyl)ethanone;1-(2-amino-5-cyclopropyl-3-fluorophenyl)ethanone;5-(2-chloro-6-cyclopropyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;cyclopropyl(difluoro)borane;2-(3-methyl-1,2,4-oxadiazol-5-yl)acetic acid;fluoride?
The canonical SMILES for potassium;1-(2-amino-5-bromo-3-fluorophenyl)ethanone;1-(2-amino-5-cyclopropyl-3-fluorophenyl)ethanone;5-(2-chloro-6-cyclopropyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;cyclopropyl(difluoro)borane;2-(3-methyl-1,2,4-oxadiazol-5-yl)acetic acid;fluoride is CC(=O)c1cc(Br)cc(F)c1N.CC(=O)c1cc(C2CC2)cc(F)c1N.Cc1noc(-c2c(Cl)nc3c(F)cc(C4CC4)cc3c2C)n1.Cc1noc(CC(=O)O)n1.FB(F)C1CC1.[F-].[K+].
What is the InChIKey of potassium;1-(2-amino-5-bromo-3-fluorophenyl)ethanone;1-(2-amino-5-cyclopropyl-3-fluorophenyl)ethanone;5-(2-chloro-6-cyclopropyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;cyclopropyl(difluoro)borane;2-(3-methyl-1,2,4-oxadiazol-5-yl)acetic acid;fluoride?
The InChIKey is SZDCKTWVRUHOET-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H13ClFN3O.C11H12FNO.C8H7BrFNO.C5H6N2O3.C3H5BF2.FH.K/c1-7-11-5-10(9-3-4-9)6-12(18)14(11)20-15(17)13(7)16-19-8(2)21-22-16;1-6(14)9-4-8(7-2-3-7)5-10(12)11(9)13;1-4(12)6-2-5(9)3-7(10)8(6)11;1-3-6-4(10-7-3)2-5(8)9;5-4(6)3-1-2-3;;/h5-6,9H,3-4H2,1-2H3;4-5,7H,2-3,13H2,1H3;2-3H,11H2,1H3;2H2,1H3,(H,8,9);3H,1-2H2;1H;/q;;;;;;+1/p-1.
What are the key properties of potassium;1-(2-amino-5-bromo-3-fluorophenyl)ethanone;1-(2-amino-5-cyclopropyl-3-fluorophenyl)ethanone;5-(2-chloro-6-cyclopropyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;cyclopropyl(difluoro)borane;2-(3-methyl-1,2,4-oxadiazol-5-yl)acetic acid;fluoride?
potassium;1-(2-amino-5-bromo-3-fluorophenyl)ethanone;1-(2-amino-5-cyclopropyl-3-fluorophenyl)ethanone;5-(2-chloro-6-cyclopropyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;cyclopropyl(difluoro)borane;2-(3-methyl-1,2,4-oxadiazol-5-yl)acetic acid;fluoride has a molecular weight of 1033.11 g/mol, XLogP of 5.02, 8 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;1-(2-amino-5-bromo-3-fluorophenyl)ethanone;1-(2-amino-5-cyclopropyl-3-fluorophenyl)ethanone;5-(2-chloro-6-cyclopropyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;cyclopropyl(difluoro)borane;2-(3-methyl-1,2,4-oxadiazol-5-yl)acetic acid;fluoride is sourced from PubChem (CID 159977255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).