2-bromo-6-(difluoromethyl)pyridine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;2-[[2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;3-fluoropyridin-4-amine

C75H71BrF11N19O3Si2 — CID 160946711

About 2-bromo-6-(difluoromethyl)pyridine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;2-[[2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;3-fluoropyridin-4-amine

2-bromo-6-(difluoromethyl)pyridine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;2-[[2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;3-fluoropyridin-4-amine (PubChem CID 160946711) has the molecular formula C75H71BrF11N19O3Si2 and a molecular weight of 1631.58 g/mol. Its IUPAC name is 2-bromo-6-(difluoromethyl)pyridine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;2-[[2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;3-fluoropyridin-4-amine.

Molecular Properties

• Compound Name: 2-bromo-6-(difluoromethyl)pyridine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;2-[[2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;3-fluoropyridin-4-amine
• PubChem CID: 160946711
• Molecular Formula: C75H71BrF11N19O3Si2
• Molecular Weight: 1631.58 g/mol
• Exact Mass: 1629.45
• IUPAC Name: 2-bromo-6-(difluoromethyl)pyridine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;2-[[2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;3-fluoropyridin-4-amine
• SMILES: C[Si](C)(C)CCOCn1ccc2c(Nc3ccncc3F)nc(-c3cccc(C(F)F)n3)nc21.C[Si](C)(C)CCOCn1ccc2c(Oc3ccccc3)nc(-c3cccc(C(F)F)n3)nc21.FC(F)c1cccc(Br)n1.Fc1cnccc1Nc1nc(-c2cccc(C(F)F)n2)nc2[nH]ccc12.Nc1ccncc1F
• InChI: InChI=1S/C24H26F2N4O2Si.C23H25F3N6OSi.C17H11F3N6.C6H4BrF2N.C5H5FN2/c1-33(2,3)15-14-31-16-30-13-12-18-23(30)28-22(20-11-7-10-19(27-20)21(25)26)29-24(18)32-17-8-5-4-6-9-17;1-34(2,3)12-11-33-14-32-10-8-15-21(29-17-7-9-27-13-16(17)24)30-22(31-23(15)32)19-6-4-5-18(28-19)20(25)26;18-10-8-21-6-5-11(10)24-16-9-4-7-22-15(9)25-17(26-16)13-3-1-2-12(23-13)14(19)20;7-5-3-1-2-4(10-5)6(8)9;6-4-3-8-2-1-5(4)7/h4-13,21H,14-16H2,1-3H3;4-10,13,20H,11-12,14H2,1-3H3,(H,27,29,30,31);1-8,14H,(H2,21,22,24,25,26);1-3,6H;1-3H,(H2,7,8)
• InChIKey: SVFGRFMYSCWOSZ-UHFFFAOYSA-N
• XLogP: 20.38
• TPSA: 270.99 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 23
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1631.58
LogP ≤ 5	20.38
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(difluoromethyl)pyridine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;2-[[2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;3-fluoropyridin-4-amine?

The IUPAC name of 2-bromo-6-(difluoromethyl)pyridine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;2-[[2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;3-fluoropyridin-4-amine (CID 160946711) is 2-bromo-6-(difluoromethyl)pyridine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;2-[[2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;3-fluoropyridin-4-amine.

What is the SMILES notation for 2-bromo-6-(difluoromethyl)pyridine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;2-[[2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;3-fluoropyridin-4-amine?

The canonical SMILES for 2-bromo-6-(difluoromethyl)pyridine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;2-[[2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;3-fluoropyridin-4-amine is C[Si](C)(C)CCOCn1ccc2c(Nc3ccncc3F)nc(-c3cccc(C(F)F)n3)nc21.C[Si](C)(C)CCOCn1ccc2c(Oc3ccccc3)nc(-c3cccc(C(F)F)n3)nc21.FC(F)c1cccc(Br)n1.Fc1cnccc1Nc1nc(-c2cccc(C(F)F)n2)nc2[nH]ccc12.Nc1ccncc1F.

What is the InChIKey of 2-bromo-6-(difluoromethyl)pyridine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;2-[[2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;3-fluoropyridin-4-amine?

The InChIKey is SVFGRFMYSCWOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N4O2Si.C23H25F3N6OSi.C17H11F3N6.C6H4BrF2N.C5H5FN2/c1-33(2,3)15-14-31-16-30-13-12-18-23(30)28-22(20-11-7-10-19(27-20)21(25)26)29-24(18)32-17-8-5-4-6-9-17;1-34(2,3)12-11-33-14-32-10-8-15-21(29-17-7-9-27-13-16(17)24)30-22(31-23(15)32)19-6-4-5-18(28-19)20(25)26;18-10-8-21-6-5-11(10)24-16-9-4-7-22-15(9)25-17(26-16)13-3-1-2-12(23-13)14(19)20;7-5-3-1-2-4(10-5)6(8)9;6-4-3-8-2-1-5(4)7/h4-13,21H,14-16H2,1-3H3;4-10,13,20H,11-12,14H2,1-3H3,(H,27,29,30,31);1-8,14H,(H2,21,22,24,25,26);1-3,6H;1-3H,(H2,7,8).

What are the key properties of 2-bromo-6-(difluoromethyl)pyridine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;2-[[2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;3-fluoropyridin-4-amine?

2-bromo-6-(difluoromethyl)pyridine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;2-[[2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;3-fluoropyridin-4-amine has a molecular weight of 1631.58 g/mol, XLogP of 20.38, 23 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-6-(difluoromethyl)pyridine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;2-[[2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;3-fluoropyridin-4-amine is sourced from PubChem (CID 160946711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).