4-bromopyridine-2-carbonitrile;N-[(3,4-difluorophenyl)methyl]-2-fluoropyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methylamino]pyridine-3-carboxamide;3-iodo-1-phenylpyrrolo[2,3-b]pyridine;4-(1-phenylpyrrolo[2,3-b]pyridin-3-yl)pyridine-2-carbonitrile;[4-(1-phenylpyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methanamine;tris(sulfur dioxide)

C96H69BrF5IN20O8S3 — CID 160920865

About 4-bromopyridine-2-carbonitrile;N-[(3,4-difluorophenyl)methyl]-2-fluoropyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methylamino]pyridine-3-carboxamide;3-iodo-1-phenylpyrrolo[2,3-b]pyridine;4-(1-phenylpyrrolo[2,3-b]pyridin-3-yl)pyridine-2-carbonitrile;[4-(1-phenylpyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methanamine;tris(sulfur dioxide)

4-bromopyridine-2-carbonitrile;N-[(3,4-difluorophenyl)methyl]-2-fluoropyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methylamino]pyridine-3-carboxamide;3-iodo-1-phenylpyrrolo[2,3-b]pyridine;4-(1-phenylpyrrolo[2,3-b]pyridin-3-yl)pyridine-2-carbonitrile;[4-(1-phenylpyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methanamine;tris(sulfur dioxide) (PubChem CID 160920865) has the molecular formula C96H69BrF5IN20O8S3 and a molecular weight of 2028.74 g/mol. Its IUPAC name is 4-bromopyridine-2-carbonitrile;N-[(3,4-difluorophenyl)methyl]-2-fluoropyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methylamino]pyridine-3-carboxamide;3-iodo-1-phenylpyrrolo[2,3-b]pyridine;4-(1-phenylpyrrolo[2,3-b]pyridin-3-yl)pyridine-2-carbonitrile;[4-(1-phenylpyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methanamine;tris(sulfur dioxide).

Molecular Properties

• Compound Name: 4-bromopyridine-2-carbonitrile;N-[(3,4-difluorophenyl)methyl]-2-fluoropyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methylamino]pyridine-3-carboxamide;3-iodo-1-phenylpyrrolo[2,3-b]pyridine;4-(1-phenylpyrrolo[2,3-b]pyridin-3-yl)pyridine-2-carbonitrile;[4-(1-phenylpyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methanamine;tris(sulfur dioxide)
• PubChem CID: 160920865
• Molecular Formula: C96H69BrF5IN20O8S3
• Molecular Weight: 2028.74 g/mol
• Exact Mass: 2026.29
• IUPAC Name: 4-bromopyridine-2-carbonitrile;N-[(3,4-difluorophenyl)methyl]-2-fluoropyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methylamino]pyridine-3-carboxamide;3-iodo-1-phenylpyrrolo[2,3-b]pyridine;4-(1-phenylpyrrolo[2,3-b]pyridin-3-yl)pyridine-2-carbonitrile;[4-(1-phenylpyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methanamine;tris(sulfur dioxide)
• SMILES: Ic1cn(-c2ccccc2)c2ncccc12.N#Cc1cc(-c2cn(-c3ccccc3)c3ncccc23)ccn1.N#Cc1cc(Br)ccn1.NCc1cc(-c2cn(-c3ccccc3)c3ncccc23)ccn1.O=C(NCc1ccc(F)c(F)c1)c1cccnc1F.O=C(NCc1ccc(F)c(F)c1)c1cccnc1NCc1cc(-c2c[nH]c3ncccc23)ccn1.O=S=O.O=S=O.O=S=O
• InChI: InChI=1S/C26H20F2N6O.C19H16N4.C19H12N4.C13H9F3N2O.C13H9IN2.C6H3BrN2.3O2S/c27-22-6-5-16(11-23(22)28)13-34-26(35)20-4-2-9-31-25(20)32-14-18-12-17(7-10-29-18)21-15-33-24-19(21)3-1-8-30-24;2*20-12-15-11-14(8-10-21-15)18-13-23(16-5-2-1-3-6-16)19-17(18)7-4-9-22-19;14-10-4-3-8(6-11(10)15)7-18-13(19)9-2-1-5-17-12(9)16;14-12-9-16(10-5-2-1-3-6-10)13-11(12)7-4-8-15-13;7-5-1-2-9-6(3-5)4-8;3*1-3-2/h1-12,15H,13-14H2,(H,30,33)(H,31,32)(H,34,35);1-11,13H,12,20H2;1-11,13H;1-6H,7H2,(H,18,19);1-9H;1-3H
• InChIKey: SRZXBJQHXONFRF-UHFFFAOYSA-N
• XLogP: 18.11
• TPSA: 405.73 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 16
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2028.74
LogP ≤ 5	18.11
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-bromopyridine-2-carbonitrile;N-[(3,4-difluorophenyl)methyl]-2-fluoropyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methylamino]pyridine-3-carboxamide;3-iodo-1-phenylpyrrolo[2,3-b]pyridine;4-(1-phenylpyrrolo[2,3-b]pyridin-3-yl)pyridine-2-carbonitrile;[4-(1-phenylpyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methanamine;tris(sulfur dioxide)?

The IUPAC name of 4-bromopyridine-2-carbonitrile;N-[(3,4-difluorophenyl)methyl]-2-fluoropyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methylamino]pyridine-3-carboxamide;3-iodo-1-phenylpyrrolo[2,3-b]pyridine;4-(1-phenylpyrrolo[2,3-b]pyridin-3-yl)pyridine-2-carbonitrile;[4-(1-phenylpyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methanamine;tris(sulfur dioxide) (CID 160920865) is 4-bromopyridine-2-carbonitrile;N-[(3,4-difluorophenyl)methyl]-2-fluoropyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methylamino]pyridine-3-carboxamide;3-iodo-1-phenylpyrrolo[2,3-b]pyridine;4-(1-phenylpyrrolo[2,3-b]pyridin-3-yl)pyridine-2-carbonitrile;[4-(1-phenylpyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methanamine;tris(sulfur dioxide).

What is the SMILES notation for 4-bromopyridine-2-carbonitrile;N-[(3,4-difluorophenyl)methyl]-2-fluoropyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methylamino]pyridine-3-carboxamide;3-iodo-1-phenylpyrrolo[2,3-b]pyridine;4-(1-phenylpyrrolo[2,3-b]pyridin-3-yl)pyridine-2-carbonitrile;[4-(1-phenylpyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methanamine;tris(sulfur dioxide)?

The canonical SMILES for 4-bromopyridine-2-carbonitrile;N-[(3,4-difluorophenyl)methyl]-2-fluoropyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methylamino]pyridine-3-carboxamide;3-iodo-1-phenylpyrrolo[2,3-b]pyridine;4-(1-phenylpyrrolo[2,3-b]pyridin-3-yl)pyridine-2-carbonitrile;[4-(1-phenylpyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methanamine;tris(sulfur dioxide) is Ic1cn(-c2ccccc2)c2ncccc12.N#Cc1cc(-c2cn(-c3ccccc3)c3ncccc23)ccn1.N#Cc1cc(Br)ccn1.NCc1cc(-c2cn(-c3ccccc3)c3ncccc23)ccn1.O=C(NCc1ccc(F)c(F)c1)c1cccnc1F.O=C(NCc1ccc(F)c(F)c1)c1cccnc1NCc1cc(-c2c[nH]c3ncccc23)ccn1.O=S=O.O=S=O.O=S=O.

What is the InChIKey of 4-bromopyridine-2-carbonitrile;N-[(3,4-difluorophenyl)methyl]-2-fluoropyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methylamino]pyridine-3-carboxamide;3-iodo-1-phenylpyrrolo[2,3-b]pyridine;4-(1-phenylpyrrolo[2,3-b]pyridin-3-yl)pyridine-2-carbonitrile;[4-(1-phenylpyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methanamine;tris(sulfur dioxide)?

The InChIKey is SRZXBJQHXONFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F2N6O.C19H16N4.C19H12N4.C13H9F3N2O.C13H9IN2.C6H3BrN2.3O2S/c27-22-6-5-16(11-23(22)28)13-34-26(35)20-4-2-9-31-25(20)32-14-18-12-17(7-10-29-18)21-15-33-24-19(21)3-1-8-30-24;2*20-12-15-11-14(8-10-21-15)18-13-23(16-5-2-1-3-6-16)19-17(18)7-4-9-22-19;14-10-4-3-8(6-11(10)15)7-18-13(19)9-2-1-5-17-12(9)16;14-12-9-16(10-5-2-1-3-6-10)13-11(12)7-4-8-15-13;7-5-1-2-9-6(3-5)4-8;3*1-3-2/h1-12,15H,13-14H2,(H,30,33)(H,31,32)(H,34,35);1-11,13H,12,20H2;1-11,13H;1-6H,7H2,(H,18,19);1-9H;1-3H;;;.

What are the key properties of 4-bromopyridine-2-carbonitrile;N-[(3,4-difluorophenyl)methyl]-2-fluoropyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methylamino]pyridine-3-carboxamide;3-iodo-1-phenylpyrrolo[2,3-b]pyridine;4-(1-phenylpyrrolo[2,3-b]pyridin-3-yl)pyridine-2-carbonitrile;[4-(1-phenylpyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methanamine;tris(sulfur dioxide)?

4-bromopyridine-2-carbonitrile;N-[(3,4-difluorophenyl)methyl]-2-fluoropyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methylamino]pyridine-3-carboxamide;3-iodo-1-phenylpyrrolo[2,3-b]pyridine;4-(1-phenylpyrrolo[2,3-b]pyridin-3-yl)pyridine-2-carbonitrile;[4-(1-phenylpyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methanamine;tris(sulfur dioxide) has a molecular weight of 2028.74 g/mol, XLogP of 18.11, 16 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromopyridine-2-carbonitrile;N-[(3,4-difluorophenyl)methyl]-2-fluoropyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methylamino]pyridine-3-carboxamide;3-iodo-1-phenylpyrrolo[2,3-b]pyridine;4-(1-phenylpyrrolo[2,3-b]pyridin-3-yl)pyridine-2-carbonitrile;[4-(1-phenylpyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methanamine;tris(sulfur dioxide) is sourced from PubChem (CID 160920865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).