5-bromo-N-(2,4-difluorophenyl)-2-(dimethylamino)-N-methylpyridine-3-carboxamide;5-bromo-2-(dimethylamino)pyridine-3-carbonyl chloride;5-bromo-2-(dimethylamino)pyridine-3-carboxylic acid;5-bromo-2-fluoropyridine-3-carboxylic acid;N-(2,4-difluorophenyl)-2-(dimethylamino)-N-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine-3-carboxamide;1-ethyl-2,4-difluorobenzene;N-methylmethanamine;oxolane;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one;thionyl dichloride

C88H99BBr4Cl3F7N14O13S — CID 160877442

About 5-bromo-N-(2,4-difluorophenyl)-2-(dimethylamino)-N-methylpyridine-3-carboxamide;5-bromo-2-(dimethylamino)pyridine-3-carbonyl chloride;5-bromo-2-(dimethylamino)pyridine-3-carboxylic acid;5-bromo-2-fluoropyridine-3-carboxylic acid;N-(2,4-difluorophenyl)-2-(dimethylamino)-N-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine-3-carboxamide;1-ethyl-2,4-difluorobenzene;N-methylmethanamine;oxolane;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one;thionyl dichloride

5-bromo-N-(2,4-difluorophenyl)-2-(dimethylamino)-N-methylpyridine-3-carboxamide;5-bromo-2-(dimethylamino)pyridine-3-carbonyl chloride;5-bromo-2-(dimethylamino)pyridine-3-carboxylic acid;5-bromo-2-fluoropyridine-3-carboxylic acid;N-(2,4-difluorophenyl)-2-(dimethylamino)-N-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine-3-carboxamide;1-ethyl-2,4-difluorobenzene;N-methylmethanamine;oxolane;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one;thionyl dichloride (PubChem CID 160877442) has the molecular formula C88H99BBr4Cl3F7N14O13S and a molecular weight of 2162.68 g/mol. Its IUPAC name is 5-bromo-N-(2,4-difluorophenyl)-2-(dimethylamino)-N-methylpyridine-3-carboxamide;5-bromo-2-(dimethylamino)pyridine-3-carbonyl chloride;5-bromo-2-(dimethylamino)pyridine-3-carboxylic acid;5-bromo-2-fluoropyridine-3-carboxylic acid;N-(2,4-difluorophenyl)-2-(dimethylamino)-N-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine-3-carboxamide;1-ethyl-2,4-difluorobenzene;N-methylmethanamine;oxolane;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one;thionyl dichloride.

Molecular Properties

• Compound Name: 5-bromo-N-(2,4-difluorophenyl)-2-(dimethylamino)-N-methylpyridine-3-carboxamide;5-bromo-2-(dimethylamino)pyridine-3-carbonyl chloride;5-bromo-2-(dimethylamino)pyridine-3-carboxylic acid;5-bromo-2-fluoropyridine-3-carboxylic acid;N-(2,4-difluorophenyl)-2-(dimethylamino)-N-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine-3-carboxamide;1-ethyl-2,4-difluorobenzene;N-methylmethanamine;oxolane;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one;thionyl dichloride
• PubChem CID: 160877442
• Molecular Formula: C88H99BBr4Cl3F7N14O13S
• Molecular Weight: 2162.68 g/mol
• Exact Mass: 2156.30
• IUPAC Name: 5-bromo-N-(2,4-difluorophenyl)-2-(dimethylamino)-N-methylpyridine-3-carboxamide;5-bromo-2-(dimethylamino)pyridine-3-carbonyl chloride;5-bromo-2-(dimethylamino)pyridine-3-carboxylic acid;5-bromo-2-fluoropyridine-3-carboxylic acid;N-(2,4-difluorophenyl)-2-(dimethylamino)-N-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine-3-carboxamide;1-ethyl-2,4-difluorobenzene;N-methylmethanamine;oxolane;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one;thionyl dichloride
• SMILES: C1CCOC1.CC(=O)Cc1cc(-c2cnc(N(C)C)c(C(=O)N(C)c3ccc(F)cc3F)c2)ccn1.CC(=O)Cc1cc(B2OC(C)(C)C(C)(C)O2)ccn1.CCc1ccc(F)cc1F.CN(C)c1ncc(Br)cc1C(=O)Cl.CN(C)c1ncc(Br)cc1C(=O)N(C)c1ccc(F)cc1F.CN(C)c1ncc(Br)cc1C(=O)O.CNC.O=C(O)c1cc(Br)cnc1F.O=S(Cl)Cl
• InChI: InChI=1S/C23H22F2N4O2.C15H14BrF2N3O.C14H20BNO3.C8H8BrClN2O.C8H9BrN2O2.C8H8F2.C6H3BrFNO2.C4H8O.C2H7N.Cl2OS/c1-14(30)9-18-10-15(7-8-26-18)16-11-19(22(27-13-16)28(2)3)23(31)29(4)21-6-5-17(24)12-20(21)25;1-20(2)14-11(6-9(16)8-19-14)15(22)21(3)13-5-4-10(17)7-12(13)18;1-10(17)8-12-9-11(6-7-16-12)15-18-13(2,3)14(4,5)19-15;1-12(2)8-6(7(10)13)3-5(9)4-11-8;1-11(2)7-6(8(12)13)3-5(9)4-10-7;1-2-6-3-4-7(9)5-8(6)10;7-3-1-4(6(10)11)5(8)9-2-3;1-2-4-5-3-1;1-3-2;1-4(2)3/h5-8,10-13H,9H2,1-4H3;4-8H,1-3H3;6-7,9H,8H2,1-5H3;3-4H,1-2H3;3-4H,1-2H3,(H,12,13);3-5H,2H2,1H3;1-2H,(H,10,11);1-4H2;3H,1-2H3
• InChIKey: SMOVFZQECUSQJI-UHFFFAOYSA-N
• XLogP: 18.65
• TPSA: 326.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 18
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2162.68
LogP ≤ 5	18.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,4-difluorophenyl)-2-(dimethylamino)-N-methylpyridine-3-carboxamide;5-bromo-2-(dimethylamino)pyridine-3-carbonyl chloride;5-bromo-2-(dimethylamino)pyridine-3-carboxylic acid;5-bromo-2-fluoropyridine-3-carboxylic acid;N-(2,4-difluorophenyl)-2-(dimethylamino)-N-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine-3-carboxamide;1-ethyl-2,4-difluorobenzene;N-methylmethanamine;oxolane;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one;thionyl dichloride?

The IUPAC name of 5-bromo-N-(2,4-difluorophenyl)-2-(dimethylamino)-N-methylpyridine-3-carboxamide;5-bromo-2-(dimethylamino)pyridine-3-carbonyl chloride;5-bromo-2-(dimethylamino)pyridine-3-carboxylic acid;5-bromo-2-fluoropyridine-3-carboxylic acid;N-(2,4-difluorophenyl)-2-(dimethylamino)-N-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine-3-carboxamide;1-ethyl-2,4-difluorobenzene;N-methylmethanamine;oxolane;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one;thionyl dichloride (CID 160877442) is 5-bromo-N-(2,4-difluorophenyl)-2-(dimethylamino)-N-methylpyridine-3-carboxamide;5-bromo-2-(dimethylamino)pyridine-3-carbonyl chloride;5-bromo-2-(dimethylamino)pyridine-3-carboxylic acid;5-bromo-2-fluoropyridine-3-carboxylic acid;N-(2,4-difluorophenyl)-2-(dimethylamino)-N-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine-3-carboxamide;1-ethyl-2,4-difluorobenzene;N-methylmethanamine;oxolane;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one;thionyl dichloride.

What is the SMILES notation for 5-bromo-N-(2,4-difluorophenyl)-2-(dimethylamino)-N-methylpyridine-3-carboxamide;5-bromo-2-(dimethylamino)pyridine-3-carbonyl chloride;5-bromo-2-(dimethylamino)pyridine-3-carboxylic acid;5-bromo-2-fluoropyridine-3-carboxylic acid;N-(2,4-difluorophenyl)-2-(dimethylamino)-N-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine-3-carboxamide;1-ethyl-2,4-difluorobenzene;N-methylmethanamine;oxolane;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one;thionyl dichloride?

The canonical SMILES for 5-bromo-N-(2,4-difluorophenyl)-2-(dimethylamino)-N-methylpyridine-3-carboxamide;5-bromo-2-(dimethylamino)pyridine-3-carbonyl chloride;5-bromo-2-(dimethylamino)pyridine-3-carboxylic acid;5-bromo-2-fluoropyridine-3-carboxylic acid;N-(2,4-difluorophenyl)-2-(dimethylamino)-N-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine-3-carboxamide;1-ethyl-2,4-difluorobenzene;N-methylmethanamine;oxolane;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one;thionyl dichloride is C1CCOC1.CC(=O)Cc1cc(-c2cnc(N(C)C)c(C(=O)N(C)c3ccc(F)cc3F)c2)ccn1.CC(=O)Cc1cc(B2OC(C)(C)C(C)(C)O2)ccn1.CCc1ccc(F)cc1F.CN(C)c1ncc(Br)cc1C(=O)Cl.CN(C)c1ncc(Br)cc1C(=O)N(C)c1ccc(F)cc1F.CN(C)c1ncc(Br)cc1C(=O)O.CNC.O=C(O)c1cc(Br)cnc1F.O=S(Cl)Cl.

What is the InChIKey of 5-bromo-N-(2,4-difluorophenyl)-2-(dimethylamino)-N-methylpyridine-3-carboxamide;5-bromo-2-(dimethylamino)pyridine-3-carbonyl chloride;5-bromo-2-(dimethylamino)pyridine-3-carboxylic acid;5-bromo-2-fluoropyridine-3-carboxylic acid;N-(2,4-difluorophenyl)-2-(dimethylamino)-N-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine-3-carboxamide;1-ethyl-2,4-difluorobenzene;N-methylmethanamine;oxolane;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one;thionyl dichloride?

The InChIKey is SMOVFZQECUSQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N4O2.C15H14BrF2N3O.C14H20BNO3.C8H8BrClN2O.C8H9BrN2O2.C8H8F2.C6H3BrFNO2.C4H8O.C2H7N.Cl2OS/c1-14(30)9-18-10-15(7-8-26-18)16-11-19(22(27-13-16)28(2)3)23(31)29(4)21-6-5-17(24)12-20(21)25;1-20(2)14-11(6-9(16)8-19-14)15(22)21(3)13-5-4-10(17)7-12(13)18;1-10(17)8-12-9-11(6-7-16-12)15-18-13(2,3)14(4,5)19-15;1-12(2)8-6(7(10)13)3-5(9)4-11-8;1-11(2)7-6(8(12)13)3-5(9)4-10-7;1-2-6-3-4-7(9)5-8(6)10;7-3-1-4(6(10)11)5(8)9-2-3;1-2-4-5-3-1;1-3-2;1-4(2)3/h5-8,10-13H,9H2,1-4H3;4-8H,1-3H3;6-7,9H,8H2,1-5H3;3-4H,1-2H3;3-4H,1-2H3,(H,12,13);3-5H,2H2,1H3;1-2H,(H,10,11);1-4H2;3H,1-2H3;.

What are the key properties of 5-bromo-N-(2,4-difluorophenyl)-2-(dimethylamino)-N-methylpyridine-3-carboxamide;5-bromo-2-(dimethylamino)pyridine-3-carbonyl chloride;5-bromo-2-(dimethylamino)pyridine-3-carboxylic acid;5-bromo-2-fluoropyridine-3-carboxylic acid;N-(2,4-difluorophenyl)-2-(dimethylamino)-N-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine-3-carboxamide;1-ethyl-2,4-difluorobenzene;N-methylmethanamine;oxolane;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one;thionyl dichloride?

5-bromo-N-(2,4-difluorophenyl)-2-(dimethylamino)-N-methylpyridine-3-carboxamide;5-bromo-2-(dimethylamino)pyridine-3-carbonyl chloride;5-bromo-2-(dimethylamino)pyridine-3-carboxylic acid;5-bromo-2-fluoropyridine-3-carboxylic acid;N-(2,4-difluorophenyl)-2-(dimethylamino)-N-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine-3-carboxamide;1-ethyl-2,4-difluorobenzene;N-methylmethanamine;oxolane;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one;thionyl dichloride has a molecular weight of 2162.68 g/mol, XLogP of 18.65, 18 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-(2,4-difluorophenyl)-2-(dimethylamino)-N-methylpyridine-3-carboxamide;5-bromo-2-(dimethylamino)pyridine-3-carbonyl chloride;5-bromo-2-(dimethylamino)pyridine-3-carboxylic acid;5-bromo-2-fluoropyridine-3-carboxylic acid;N-(2,4-difluorophenyl)-2-(dimethylamino)-N-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine-3-carboxamide;1-ethyl-2,4-difluorobenzene;N-methylmethanamine;oxolane;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one;thionyl dichloride is sourced from PubChem (CID 160877442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).