dipotassium;1-(chloromethyl)-2,4-difluorobenzene;hydride;4-hydroxy-6-methylpyran-2-one;methyl 3-amino-4-methylbenzoate;methyl 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-methylbenzoate;methyl 3-(3-bromo-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)-4-methylbenzoate;methyl 3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-4-methylbenzoate;molecular bromine;oxido formate;hydrochloride

C75H72Br4Cl2F4K2N4O20 — CID 158446730

About dipotassium;1-(chloromethyl)-2,4-difluorobenzene;hydride;4-hydroxy-6-methylpyran-2-one;methyl 3-amino-4-methylbenzoate;methyl 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-methylbenzoate;methyl 3-(3-bromo-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)-4-methylbenzoate;methyl 3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-4-methylbenzoate;molecular bromine;oxido formate;hydrochloride

dipotassium;1-(chloromethyl)-2,4-difluorobenzene;hydride;4-hydroxy-6-methylpyran-2-one;methyl 3-amino-4-methylbenzoate;methyl 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-methylbenzoate;methyl 3-(3-bromo-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)-4-methylbenzoate;methyl 3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-4-methylbenzoate;molecular bromine;oxido formate;hydrochloride (PubChem CID 158446730) has the molecular formula C75H72Br4Cl2F4K2N4O20 and a molecular weight of 1894.12 g/mol. Its IUPAC name is dipotassium;1-(chloromethyl)-2,4-difluorobenzene;hydride;4-hydroxy-6-methylpyran-2-one;methyl 3-amino-4-methylbenzoate;methyl 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-methylbenzoate;methyl 3-(3-bromo-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)-4-methylbenzoate;methyl 3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-4-methylbenzoate;molecular bromine;oxido formate;hydrochloride.

Molecular Properties

• Compound Name: dipotassium;1-(chloromethyl)-2,4-difluorobenzene;hydride;4-hydroxy-6-methylpyran-2-one;methyl 3-amino-4-methylbenzoate;methyl 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-methylbenzoate;methyl 3-(3-bromo-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)-4-methylbenzoate;methyl 3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-4-methylbenzoate;molecular bromine;oxido formate;hydrochloride
• PubChem CID: 158446730
• Molecular Formula: C75H72Br4Cl2F4K2N4O20
• Molecular Weight: 1894.12 g/mol
• Exact Mass: 1888.01
• IUPAC Name: dipotassium;1-(chloromethyl)-2,4-difluorobenzene;hydride;4-hydroxy-6-methylpyran-2-one;methyl 3-amino-4-methylbenzoate;methyl 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-methylbenzoate;methyl 3-(3-bromo-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)-4-methylbenzoate;methyl 3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-4-methylbenzoate;molecular bromine;oxido formate;hydrochloride
• SMILES: BrBr.COC(=O)c1ccc(C)c(-n2c(C)cc(O)c(Br)c2=O)c1.COC(=O)c1ccc(C)c(-n2c(C)cc(O)cc2=O)c1.COC(=O)c1ccc(C)c(-n2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)c1.COC(=O)c1ccc(C)c(N)c1.Cc1cc(O)cc(=O)o1.Cl.Fc1ccc(CCl)c(F)c1.O=CO[O-].[H-].[K+].[K+]
• InChI: InChI=1S/C22H18BrF2NO4.C15H14BrNO4.C15H15NO4.C9H11NO2.C7H5ClF2.C6H6O3.CH2O3.Br2.ClH.2K.H/c1-12-4-5-14(22(28)29-3)9-18(12)26-13(2)8-19(20(23)21(26)27)30-11-15-6-7-16(24)10-17(15)25;1-8-4-5-10(15(20)21-3)7-11(8)17-9(2)6-12(18)13(16)14(17)19;1-9-4-5-11(15(19)20-3)7-13(9)16-10(2)6-12(17)8-14(16)18;1-6-3-4-7(5-8(6)10)9(11)12-2;8-4-5-1-2-6(9)3-7(5)10;1-4-2-5(7)3-6(8)9-4;2-1-4-3;1-2;;;;/h4-10H,11H2,1-3H3;4-7,18H,1-3H3;4-8,17H,1-3H3;3-5H,10H2,1-2H3;1-3H,4H2;2-3,7H,1H3;1,3H;;1H;;;/q;;;;;;;;;2*+1;-1/p-1
• InChIKey: IWZRBSMMYNGHNJ-UHFFFAOYSA-M
• XLogP: 8.91
• TPSA: 346.71 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 12
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1894.12
LogP ≤ 5	8.91
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;1-(chloromethyl)-2,4-difluorobenzene;hydride;4-hydroxy-6-methylpyran-2-one;methyl 3-amino-4-methylbenzoate;methyl 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-methylbenzoate;methyl 3-(3-bromo-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)-4-methylbenzoate;methyl 3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-4-methylbenzoate;molecular bromine;oxido formate;hydrochloride?

The IUPAC name of dipotassium;1-(chloromethyl)-2,4-difluorobenzene;hydride;4-hydroxy-6-methylpyran-2-one;methyl 3-amino-4-methylbenzoate;methyl 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-methylbenzoate;methyl 3-(3-bromo-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)-4-methylbenzoate;methyl 3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-4-methylbenzoate;molecular bromine;oxido formate;hydrochloride (CID 158446730) is dipotassium;1-(chloromethyl)-2,4-difluorobenzene;hydride;4-hydroxy-6-methylpyran-2-one;methyl 3-amino-4-methylbenzoate;methyl 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-methylbenzoate;methyl 3-(3-bromo-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)-4-methylbenzoate;methyl 3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-4-methylbenzoate;molecular bromine;oxido formate;hydrochloride.

What is the SMILES notation for dipotassium;1-(chloromethyl)-2,4-difluorobenzene;hydride;4-hydroxy-6-methylpyran-2-one;methyl 3-amino-4-methylbenzoate;methyl 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-methylbenzoate;methyl 3-(3-bromo-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)-4-methylbenzoate;methyl 3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-4-methylbenzoate;molecular bromine;oxido formate;hydrochloride?

The canonical SMILES for dipotassium;1-(chloromethyl)-2,4-difluorobenzene;hydride;4-hydroxy-6-methylpyran-2-one;methyl 3-amino-4-methylbenzoate;methyl 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-methylbenzoate;methyl 3-(3-bromo-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)-4-methylbenzoate;methyl 3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-4-methylbenzoate;molecular bromine;oxido formate;hydrochloride is BrBr.COC(=O)c1ccc(C)c(-n2c(C)cc(O)c(Br)c2=O)c1.COC(=O)c1ccc(C)c(-n2c(C)cc(O)cc2=O)c1.COC(=O)c1ccc(C)c(-n2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)c1.COC(=O)c1ccc(C)c(N)c1.Cc1cc(O)cc(=O)o1.Cl.Fc1ccc(CCl)c(F)c1.O=CO[O-].[H-].[K+].[K+].

What is the InChIKey of dipotassium;1-(chloromethyl)-2,4-difluorobenzene;hydride;4-hydroxy-6-methylpyran-2-one;methyl 3-amino-4-methylbenzoate;methyl 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-methylbenzoate;methyl 3-(3-bromo-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)-4-methylbenzoate;methyl 3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-4-methylbenzoate;molecular bromine;oxido formate;hydrochloride?

The InChIKey is IWZRBSMMYNGHNJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H18BrF2NO4.C15H14BrNO4.C15H15NO4.C9H11NO2.C7H5ClF2.C6H6O3.CH2O3.Br2.ClH.2K.H/c1-12-4-5-14(22(28)29-3)9-18(12)26-13(2)8-19(20(23)21(26)27)30-11-15-6-7-16(24)10-17(15)25;1-8-4-5-10(15(20)21-3)7-11(8)17-9(2)6-12(18)13(16)14(17)19;1-9-4-5-11(15(19)20-3)7-13(9)16-10(2)6-12(17)8-14(16)18;1-6-3-4-7(5-8(6)10)9(11)12-2;8-4-5-1-2-6(9)3-7(5)10;1-4-2-5(7)3-6(8)9-4;2-1-4-3;1-2;;;;/h4-10H,11H2,1-3H3;4-7,18H,1-3H3;4-8,17H,1-3H3;3-5H,10H2,1-2H3;1-3H,4H2;2-3,7H,1H3;1,3H;;1H;;;/q;;;;;;;;;2*+1;-1/p-1.

What are the key properties of dipotassium;1-(chloromethyl)-2,4-difluorobenzene;hydride;4-hydroxy-6-methylpyran-2-one;methyl 3-amino-4-methylbenzoate;methyl 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-methylbenzoate;methyl 3-(3-bromo-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)-4-methylbenzoate;methyl 3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-4-methylbenzoate;molecular bromine;oxido formate;hydrochloride?

dipotassium;1-(chloromethyl)-2,4-difluorobenzene;hydride;4-hydroxy-6-methylpyran-2-one;methyl 3-amino-4-methylbenzoate;methyl 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-methylbenzoate;methyl 3-(3-bromo-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)-4-methylbenzoate;methyl 3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-4-methylbenzoate;molecular bromine;oxido formate;hydrochloride has a molecular weight of 1894.12 g/mol, XLogP of 8.91, 12 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;1-(chloromethyl)-2,4-difluorobenzene;hydride;4-hydroxy-6-methylpyran-2-one;methyl 3-amino-4-methylbenzoate;methyl 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-methylbenzoate;methyl 3-(3-bromo-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)-4-methylbenzoate;methyl 3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-4-methylbenzoate;molecular bromine;oxido formate;hydrochloride is sourced from PubChem (CID 158446730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).