5-bromo-2-nitropyridine;7-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazole;bis(5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine);5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-nitropyridine;5-(1-methylpiperidin-4-yl)pyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine

C109H126BBrClF6N27O6 — CID 161382313

About 5-bromo-2-nitropyridine;7-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazole;bis(5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine);5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-nitropyridine;5-(1-methylpiperidin-4-yl)pyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine

5-bromo-2-nitropyridine;7-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazole;bis(5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine);5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-nitropyridine;5-(1-methylpiperidin-4-yl)pyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine (PubChem CID 161382313) has the molecular formula C109H126BBrClF6N27O6 and a molecular weight of 2150.55 g/mol. Its IUPAC name is 5-bromo-2-nitropyridine;7-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazole;bis(5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine);5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-nitropyridine;5-(1-methylpiperidin-4-yl)pyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

• Compound Name: 5-bromo-2-nitropyridine;7-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazole;bis(5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine);5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-nitropyridine;5-(1-methylpiperidin-4-yl)pyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine
• PubChem CID: 161382313
• Molecular Formula: C109H126BBrClF6N27O6
• Molecular Weight: 2150.55 g/mol
• Exact Mass: 2147.93
• IUPAC Name: 5-bromo-2-nitropyridine;7-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazole;bis(5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine);5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-nitropyridine;5-(1-methylpiperidin-4-yl)pyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine
• SMILES: CC1(C)CCc2nc3c(F)cc(-c4nc(Cl)ncc4F)cc3n21.CN1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.CN1CC=C(c2ccc([N+](=O)[O-])nc2)CC1.CN1CCC(c2ccc(N)nc2)CC1.CN1CCC(c2ccc(Nc3ncc(F)c(-c4cc(F)c5nc6n(c5c4)C(C)(C)CC6)n3)nc2)CC1.CN1CCC(c2ccc(Nc3ncc(F)c(-c4cc(F)c5nc6n(c5c4)C(C)(C)CC6)n3)nc2)CC1.O=[N+]([O-])c1ccc(Br)cn1
• InChI: InChI=1S/2C27H29F2N7.C16H13ClF2N4.C12H22BNO2.C11H13N3O2.C11H17N3.C5H3BrN2O2/c2*1-27(2)9-6-23-33-25-19(28)12-18(13-21(25)36(23)27)24-20(29)15-31-26(34-24)32-22-5-4-17(14-30-22)16-7-10-35(3)11-8-16;1-16(2)4-3-12-21-14-9(18)5-8(6-11(14)23(12)16)13-10(19)7-20-15(17)22-13;1-11(2)12(3,4)16-13(15-11)10-6-8-14(5)9-7-10;1-13-6-4-9(5-7-13)10-2-3-11(12-8-10)14(15)16;1-14-6-4-9(5-7-14)10-2-3-11(12)13-8-10;6-4-1-2-5(7-3-4)8(9)10/h2*4-5,12-16H,6-11H2,1-3H3,(H,30,31,32,34);5-7H,3-4H2,1-2H3;6H,7-9H2,1-5H3;2-4,8H,5-7H2,1H3;2-3,8-9H,4-7H2,1H3,(H2,12,13);1-3H
• InChIKey: VRWNEVGRCFYWJT-UHFFFAOYSA-N
• XLogP: 21.72
• TPSA: 366.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 31
• Rotatable Bonds: 14
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2150.55
LogP ≤ 5	21.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-nitropyridine;7-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazole;bis(5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine);5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-nitropyridine;5-(1-methylpiperidin-4-yl)pyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine?

The IUPAC name of 5-bromo-2-nitropyridine;7-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazole;bis(5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine);5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-nitropyridine;5-(1-methylpiperidin-4-yl)pyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine (CID 161382313) is 5-bromo-2-nitropyridine;7-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazole;bis(5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine);5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-nitropyridine;5-(1-methylpiperidin-4-yl)pyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine.

What is the SMILES notation for 5-bromo-2-nitropyridine;7-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazole;bis(5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine);5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-nitropyridine;5-(1-methylpiperidin-4-yl)pyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine?

The canonical SMILES for 5-bromo-2-nitropyridine;7-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazole;bis(5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine);5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-nitropyridine;5-(1-methylpiperidin-4-yl)pyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine is CC1(C)CCc2nc3c(F)cc(-c4nc(Cl)ncc4F)cc3n21.CN1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.CN1CC=C(c2ccc([N+](=O)[O-])nc2)CC1.CN1CCC(c2ccc(N)nc2)CC1.CN1CCC(c2ccc(Nc3ncc(F)c(-c4cc(F)c5nc6n(c5c4)C(C)(C)CC6)n3)nc2)CC1.CN1CCC(c2ccc(Nc3ncc(F)c(-c4cc(F)c5nc6n(c5c4)C(C)(C)CC6)n3)nc2)CC1.O=[N+]([O-])c1ccc(Br)cn1.

What is the InChIKey of 5-bromo-2-nitropyridine;7-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazole;bis(5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine);5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-nitropyridine;5-(1-methylpiperidin-4-yl)pyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine?

The InChIKey is VRWNEVGRCFYWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H29F2N7.C16H13ClF2N4.C12H22BNO2.C11H13N3O2.C11H17N3.C5H3BrN2O2/c2*1-27(2)9-6-23-33-25-19(28)12-18(13-21(25)36(23)27)24-20(29)15-31-26(34-24)32-22-5-4-17(14-30-22)16-7-10-35(3)11-8-16;1-16(2)4-3-12-21-14-9(18)5-8(6-11(14)23(12)16)13-10(19)7-20-15(17)22-13;1-11(2)12(3,4)16-13(15-11)10-6-8-14(5)9-7-10;1-13-6-4-9(5-7-13)10-2-3-11(12-8-10)14(15)16;1-14-6-4-9(5-7-14)10-2-3-11(12)13-8-10;6-4-1-2-5(7-3-4)8(9)10/h2*4-5,12-16H,6-11H2,1-3H3,(H,30,31,32,34);5-7H,3-4H2,1-2H3;6H,7-9H2,1-5H3;2-4,8H,5-7H2,1H3;2-3,8-9H,4-7H2,1H3,(H2,12,13);1-3H.

What are the key properties of 5-bromo-2-nitropyridine;7-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazole;bis(5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine);5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-nitropyridine;5-(1-methylpiperidin-4-yl)pyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine?

5-bromo-2-nitropyridine;7-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazole;bis(5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine);5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-nitropyridine;5-(1-methylpiperidin-4-yl)pyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 2150.55 g/mol, XLogP of 21.72, 14 rotatable bonds, 3 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-nitropyridine;7-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazole;bis(5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine);5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-nitropyridine;5-(1-methylpiperidin-4-yl)pyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 161382313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).