3-bromo-5-iodopyridine;3-bromo-5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyridine;1-(2-chloroethyl)pyrrolidin-1-ium;[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;2-(5-chloro-2-fluorophenyl)-4-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;1-(2-pyrrolidin-1-ylethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;chloride

C91H107B3Br2Cl4F2IN19O6 — CID 157084121

About 3-bromo-5-iodopyridine;3-bromo-5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyridine;1-(2-chloroethyl)pyrrolidin-1-ium;[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;2-(5-chloro-2-fluorophenyl)-4-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;1-(2-pyrrolidin-1-ylethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;chloride

3-bromo-5-iodopyridine;3-bromo-5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyridine;1-(2-chloroethyl)pyrrolidin-1-ium;[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;2-(5-chloro-2-fluorophenyl)-4-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;1-(2-pyrrolidin-1-ylethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;chloride (PubChem CID 157084121) has the molecular formula C91H107B3Br2Cl4F2IN19O6 and a molecular weight of 2061.94 g/mol. Its IUPAC name is 3-bromo-5-iodopyridine;3-bromo-5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyridine;1-(2-chloroethyl)pyrrolidin-1-ium;[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;2-(5-chloro-2-fluorophenyl)-4-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;1-(2-pyrrolidin-1-ylethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;chloride.

Molecular Properties

• Compound Name: 3-bromo-5-iodopyridine;3-bromo-5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyridine;1-(2-chloroethyl)pyrrolidin-1-ium;[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;2-(5-chloro-2-fluorophenyl)-4-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;1-(2-pyrrolidin-1-ylethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;chloride
• PubChem CID: 157084121
• Molecular Formula: C91H107B3Br2Cl4F2IN19O6
• Molecular Weight: 2061.94 g/mol
• Exact Mass: 2057.51
• IUPAC Name: 3-bromo-5-iodopyridine;3-bromo-5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyridine;1-(2-chloroethyl)pyrrolidin-1-ium;[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;2-(5-chloro-2-fluorophenyl)-4-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;1-(2-pyrrolidin-1-ylethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;chloride
• SMILES: Brc1cncc(-c2cnn(CCN3CCCC3)c2)c1.Brc1cncc(I)c1.CC1(C)OB(c2cn[nH]c2)OC1(C)C.CC1(C)OB(c2cnn(CCN3CCCC3)c2)OC1(C)C.ClCC[NH+]1CCCC1.Fc1ccc(Cl)cc1-c1cc(-c2cncc(-c3cnn(CCN4CCCC4)c3)c2)c2cccnc2n1.OB(O)c1cc(-c2cc(Cl)ccc2F)nc2ncccc12.[Cl-]
• InChI: InChI=1S/C28H24ClFN6.C15H26BN3O2.C14H9BClFN2O2.C14H17BrN4.C9H15BN2O2.C6H12ClN.C5H3BrIN.ClH/c29-22-5-6-26(30)25(13-22)27-14-24(23-4-3-7-32-28(23)34-27)20-12-19(15-31-16-20)21-17-33-36(18-21)11-10-35-8-1-2-9-35;1-14(2)15(3,4)21-16(20-14)13-11-17-19(12-13)10-9-18-7-5-6-8-18;16-8-3-4-12(17)10(6-8)13-7-11(15(20)21)9-2-1-5-18-14(9)19-13;15-14-7-12(8-16-10-14)13-9-17-19(11-13)6-5-18-3-1-2-4-18;1-8(2)9(3,4)14-10(13-8)7-5-11-12-6-7;7-3-6-8-4-1-2-5-8;6-4-1-5(7)3-8-2-4;/h3-7,12-18H,1-2,8-11H2;11-12H,5-10H2,1-4H3;1-7,20-21H;7-11H,1-6H2;5-6H,1-4H3,(H,11,12);1-6H2;1-3H;1H
• InChIKey: CXWFUYSXQITWRD-UHFFFAOYSA-N
• XLogP: 12.03
• TPSA: 263.91 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 19
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2061.94
LogP ≤ 5	12.03
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', '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 3-bromo-5-iodopyridine;3-bromo-5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyridine;1-(2-chloroethyl)pyrrolidin-1-ium;[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;2-(5-chloro-2-fluorophenyl)-4-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;1-(2-pyrrolidin-1-ylethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;chloride?

The IUPAC name of 3-bromo-5-iodopyridine;3-bromo-5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyridine;1-(2-chloroethyl)pyrrolidin-1-ium;[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;2-(5-chloro-2-fluorophenyl)-4-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;1-(2-pyrrolidin-1-ylethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;chloride (CID 157084121) is 3-bromo-5-iodopyridine;3-bromo-5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyridine;1-(2-chloroethyl)pyrrolidin-1-ium;[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;2-(5-chloro-2-fluorophenyl)-4-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;1-(2-pyrrolidin-1-ylethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;chloride.

What is the SMILES notation for 3-bromo-5-iodopyridine;3-bromo-5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyridine;1-(2-chloroethyl)pyrrolidin-1-ium;[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;2-(5-chloro-2-fluorophenyl)-4-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;1-(2-pyrrolidin-1-ylethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;chloride?

The canonical SMILES for 3-bromo-5-iodopyridine;3-bromo-5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyridine;1-(2-chloroethyl)pyrrolidin-1-ium;[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;2-(5-chloro-2-fluorophenyl)-4-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;1-(2-pyrrolidin-1-ylethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;chloride is Brc1cncc(-c2cnn(CCN3CCCC3)c2)c1.Brc1cncc(I)c1.CC1(C)OB(c2cn[nH]c2)OC1(C)C.CC1(C)OB(c2cnn(CCN3CCCC3)c2)OC1(C)C.ClCC[NH+]1CCCC1.Fc1ccc(Cl)cc1-c1cc(-c2cncc(-c3cnn(CCN4CCCC4)c3)c2)c2cccnc2n1.OB(O)c1cc(-c2cc(Cl)ccc2F)nc2ncccc12.[Cl-].

What is the InChIKey of 3-bromo-5-iodopyridine;3-bromo-5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyridine;1-(2-chloroethyl)pyrrolidin-1-ium;[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;2-(5-chloro-2-fluorophenyl)-4-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;1-(2-pyrrolidin-1-ylethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;chloride?

The InChIKey is CXWFUYSXQITWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClFN6.C15H26BN3O2.C14H9BClFN2O2.C14H17BrN4.C9H15BN2O2.C6H12ClN.C5H3BrIN.ClH/c29-22-5-6-26(30)25(13-22)27-14-24(23-4-3-7-32-28(23)34-27)20-12-19(15-31-16-20)21-17-33-36(18-21)11-10-35-8-1-2-9-35;1-14(2)15(3,4)21-16(20-14)13-11-17-19(12-13)10-9-18-7-5-6-8-18;16-8-3-4-12(17)10(6-8)13-7-11(15(20)21)9-2-1-5-18-14(9)19-13;15-14-7-12(8-16-10-14)13-9-17-19(11-13)6-5-18-3-1-2-4-18;1-8(2)9(3,4)14-10(13-8)7-5-11-12-6-7;7-3-6-8-4-1-2-5-8;6-4-1-5(7)3-8-2-4;/h3-7,12-18H,1-2,8-11H2;11-12H,5-10H2,1-4H3;1-7,20-21H;7-11H,1-6H2;5-6H,1-4H3,(H,11,12);1-6H2;1-3H;1H.

What are the key properties of 3-bromo-5-iodopyridine;3-bromo-5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyridine;1-(2-chloroethyl)pyrrolidin-1-ium;[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;2-(5-chloro-2-fluorophenyl)-4-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;1-(2-pyrrolidin-1-ylethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;chloride?

3-bromo-5-iodopyridine;3-bromo-5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyridine;1-(2-chloroethyl)pyrrolidin-1-ium;[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;2-(5-chloro-2-fluorophenyl)-4-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;1-(2-pyrrolidin-1-ylethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;chloride has a molecular weight of 2061.94 g/mol, XLogP of 12.03, 19 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-5-iodopyridine;3-bromo-5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyridine;1-(2-chloroethyl)pyrrolidin-1-ium;[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;2-(5-chloro-2-fluorophenyl)-4-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;1-(2-pyrrolidin-1-ylethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;chloride is sourced from PubChem (CID 157084121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).