5-bromopyridin-2-amine;N-(5-bromo-2-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide;methane;4-(trifluoromethyl)benzenesulfonyl chloride;3-[[6-[[4-(trifluoromethyl)phenyl]sulfonylmethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[6-[[4-(trifluoromethyl)phenyl]sulfonylmethyl]-3-pyridinyl]-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde

C97H115Br2ClF12N12O10S4Si2 — CID 159090394

About 5-bromopyridin-2-amine;N-(5-bromo-2-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide;methane;4-(trifluoromethyl)benzenesulfonyl chloride;3-[[6-[[4-(trifluoromethyl)phenyl]sulfonylmethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[6-[[4-(trifluoromethyl)phenyl]sulfonylmethyl]-3-pyridinyl]-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde

5-bromopyridin-2-amine;N-(5-bromo-2-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide;methane;4-(trifluoromethyl)benzenesulfonyl chloride;3-[[6-[[4-(trifluoromethyl)phenyl]sulfonylmethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[6-[[4-(trifluoromethyl)phenyl]sulfonylmethyl]-3-pyridinyl]-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde (PubChem CID 159090394) has the molecular formula C97H115Br2ClF12N12O10S4Si2 and a molecular weight of 2216.74 g/mol. Its IUPAC name is 5-bromopyridin-2-amine;N-(5-bromo-2-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide;methane;4-(trifluoromethyl)benzenesulfonyl chloride;3-[[6-[[4-(trifluoromethyl)phenyl]sulfonylmethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[6-[[4-(trifluoromethyl)phenyl]sulfonylmethyl]-3-pyridinyl]-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde.

Molecular Properties

• Compound Name: 5-bromopyridin-2-amine;N-(5-bromo-2-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide;methane;4-(trifluoromethyl)benzenesulfonyl chloride;3-[[6-[[4-(trifluoromethyl)phenyl]sulfonylmethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[6-[[4-(trifluoromethyl)phenyl]sulfonylmethyl]-3-pyridinyl]-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde
• PubChem CID: 159090394
• Molecular Formula: C97H115Br2ClF12N12O10S4Si2
• Molecular Weight: 2216.74 g/mol
• Exact Mass: 2212.51
• IUPAC Name: 5-bromopyridin-2-amine;N-(5-bromo-2-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide;methane;4-(trifluoromethyl)benzenesulfonyl chloride;3-[[6-[[4-(trifluoromethyl)phenyl]sulfonylmethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[6-[[4-(trifluoromethyl)phenyl]sulfonylmethyl]-3-pyridinyl]-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde
• SMILES: C.C.C.C.C.CC(C)[Si](C(C)C)(C(C)C)n1cc(C(O)c2ccc(CS(=O)(=O)c3ccc(C(F)(F)F)cc3)nc2)c2cccnc21.CC(C)[Si](C(C)C)(C(C)C)n1cc(C=O)c2cccnc21.Nc1ccc(Br)cn1.O=S(=O)(Cc1ccc(Cc2c[nH]c3ncccc23)cn1)c1ccc(C(F)(F)F)cc1.O=S(=O)(Cl)c1ccc(C(F)(F)F)cc1.O=S(=O)(Nc1ccc(Br)cn1)c1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C30H36F3N3O3SSi.C21H16F3N3O2S.C17H26N2OSi.C12H8BrF3N2O2S.C7H4ClF3O2S.C5H5BrN2.5CH4/c1-19(2)41(20(3)4,21(5)6)36-17-27(26-8-7-15-34-29(26)36)28(37)22-9-12-24(35-16-22)18-40(38,39)25-13-10-23(11-14-25)30(31,32)33;22-21(23,24)16-4-7-18(8-5-16)30(28,29)13-17-6-3-14(11-26-17)10-15-12-27-20-19(15)2-1-9-25-20;1-12(2)21(13(3)4,14(5)6)19-10-15(11-20)16-8-7-9-18-17(16)19;13-9-3-6-11(17-7-9)18-21(19,20)10-4-1-8(2-5-10)12(14,15)16;8-14(12,13)6-3-1-5(2-4-6)7(9,10)11;6-4-1-2-5(7)8-3-4;;;;;/h7-17,19-21,28,37H,18H2,1-6H3;1-9,11-12H,10,13H2,(H,25,27);7-14H,1-6H3;1-7H,(H,17,18);1-4H;1-3H,(H2,7,8);5*1H4
• InChIKey: KBZKLBUDQPLUMZ-UHFFFAOYSA-N
• XLogP: 27.85
• TPSA: 327.79 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 23
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2216.74
LogP ≤ 5	27.85
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromopyridin-2-amine;N-(5-bromo-2-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide;methane;4-(trifluoromethyl)benzenesulfonyl chloride;3-[[6-[[4-(trifluoromethyl)phenyl]sulfonylmethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[6-[[4-(trifluoromethyl)phenyl]sulfonylmethyl]-3-pyridinyl]-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde?

The IUPAC name of 5-bromopyridin-2-amine;N-(5-bromo-2-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide;methane;4-(trifluoromethyl)benzenesulfonyl chloride;3-[[6-[[4-(trifluoromethyl)phenyl]sulfonylmethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[6-[[4-(trifluoromethyl)phenyl]sulfonylmethyl]-3-pyridinyl]-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde (CID 159090394) is 5-bromopyridin-2-amine;N-(5-bromo-2-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide;methane;4-(trifluoromethyl)benzenesulfonyl chloride;3-[[6-[[4-(trifluoromethyl)phenyl]sulfonylmethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[6-[[4-(trifluoromethyl)phenyl]sulfonylmethyl]-3-pyridinyl]-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde.

What is the SMILES notation for 5-bromopyridin-2-amine;N-(5-bromo-2-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide;methane;4-(trifluoromethyl)benzenesulfonyl chloride;3-[[6-[[4-(trifluoromethyl)phenyl]sulfonylmethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[6-[[4-(trifluoromethyl)phenyl]sulfonylmethyl]-3-pyridinyl]-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde?

The canonical SMILES for 5-bromopyridin-2-amine;N-(5-bromo-2-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide;methane;4-(trifluoromethyl)benzenesulfonyl chloride;3-[[6-[[4-(trifluoromethyl)phenyl]sulfonylmethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[6-[[4-(trifluoromethyl)phenyl]sulfonylmethyl]-3-pyridinyl]-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde is C.C.C.C.C.CC(C)[Si](C(C)C)(C(C)C)n1cc(C(O)c2ccc(CS(=O)(=O)c3ccc(C(F)(F)F)cc3)nc2)c2cccnc21.CC(C)[Si](C(C)C)(C(C)C)n1cc(C=O)c2cccnc21.Nc1ccc(Br)cn1.O=S(=O)(Cc1ccc(Cc2c[nH]c3ncccc23)cn1)c1ccc(C(F)(F)F)cc1.O=S(=O)(Cl)c1ccc(C(F)(F)F)cc1.O=S(=O)(Nc1ccc(Br)cn1)c1ccc(C(F)(F)F)cc1.

What is the InChIKey of 5-bromopyridin-2-amine;N-(5-bromo-2-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide;methane;4-(trifluoromethyl)benzenesulfonyl chloride;3-[[6-[[4-(trifluoromethyl)phenyl]sulfonylmethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[6-[[4-(trifluoromethyl)phenyl]sulfonylmethyl]-3-pyridinyl]-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde?

The InChIKey is KBZKLBUDQPLUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36F3N3O3SSi.C21H16F3N3O2S.C17H26N2OSi.C12H8BrF3N2O2S.C7H4ClF3O2S.C5H5BrN2.5CH4/c1-19(2)41(20(3)4,21(5)6)36-17-27(26-8-7-15-34-29(26)36)28(37)22-9-12-24(35-16-22)18-40(38,39)25-13-10-23(11-14-25)30(31,32)33;22-21(23,24)16-4-7-18(8-5-16)30(28,29)13-17-6-3-14(11-26-17)10-15-12-27-20-19(15)2-1-9-25-20;1-12(2)21(13(3)4,14(5)6)19-10-15(11-20)16-8-7-9-18-17(16)19;13-9-3-6-11(17-7-9)18-21(19,20)10-4-1-8(2-5-10)12(14,15)16;8-14(12,13)6-3-1-5(2-4-6)7(9,10)11;6-4-1-2-5(7)8-3-4;;;;;/h7-17,19-21,28,37H,18H2,1-6H3;1-9,11-12H,10,13H2,(H,25,27);7-14H,1-6H3;1-7H,(H,17,18);1-4H;1-3H,(H2,7,8);5*1H4.

What are the key properties of 5-bromopyridin-2-amine;N-(5-bromo-2-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide;methane;4-(trifluoromethyl)benzenesulfonyl chloride;3-[[6-[[4-(trifluoromethyl)phenyl]sulfonylmethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[6-[[4-(trifluoromethyl)phenyl]sulfonylmethyl]-3-pyridinyl]-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde?

5-bromopyridin-2-amine;N-(5-bromo-2-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide;methane;4-(trifluoromethyl)benzenesulfonyl chloride;3-[[6-[[4-(trifluoromethyl)phenyl]sulfonylmethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[6-[[4-(trifluoromethyl)phenyl]sulfonylmethyl]-3-pyridinyl]-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde has a molecular weight of 2216.74 g/mol, XLogP of 27.85, 23 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromopyridin-2-amine;N-(5-bromo-2-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide;methane;4-(trifluoromethyl)benzenesulfonyl chloride;3-[[6-[[4-(trifluoromethyl)phenyl]sulfonylmethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[6-[[4-(trifluoromethyl)phenyl]sulfonylmethyl]-3-pyridinyl]-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde is sourced from PubChem (CID 159090394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).