2-bromo-6-(difluoromethyl)pyridine;2-chloro-3-fluoropyridin-4-amine;N-(2-chloro-3-fluoro-4-pyridinyl)-2-[6-(difluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;methane;tributyl(methyl)stannane

C62H72BrCl2F8N13OSn — CID 162029965

About 2-bromo-6-(difluoromethyl)pyridine;2-chloro-3-fluoropyridin-4-amine;N-(2-chloro-3-fluoro-4-pyridinyl)-2-[6-(difluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;methane;tributyl(methyl)stannane

2-bromo-6-(difluoromethyl)pyridine;2-chloro-3-fluoropyridin-4-amine;N-(2-chloro-3-fluoro-4-pyridinyl)-2-[6-(difluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;methane;tributyl(methyl)stannane (PubChem CID 162029965) has the molecular formula C62H72BrCl2F8N13OSn and a molecular weight of 1436.85 g/mol. Its IUPAC name is 2-bromo-6-(difluoromethyl)pyridine;2-chloro-3-fluoropyridin-4-amine;N-(2-chloro-3-fluoro-4-pyridinyl)-2-[6-(difluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;methane;tributyl(methyl)stannane.

Molecular Properties

• Compound Name: 2-bromo-6-(difluoromethyl)pyridine;2-chloro-3-fluoropyridin-4-amine;N-(2-chloro-3-fluoro-4-pyridinyl)-2-[6-(difluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;methane;tributyl(methyl)stannane
• PubChem CID: 162029965
• Molecular Formula: C62H72BrCl2F8N13OSn
• Molecular Weight: 1436.85 g/mol
• Exact Mass: 1435.34
• IUPAC Name: 2-bromo-6-(difluoromethyl)pyridine;2-chloro-3-fluoropyridin-4-amine;N-(2-chloro-3-fluoro-4-pyridinyl)-2-[6-(difluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;methane;tributyl(methyl)stannane
• SMILES: C.C.C.CCCC[Sn](C)(CCCC)CCCC.FC(F)c1cccc(-c2nc(Oc3ccccc3)c3cccn3n2)n1.FC(F)c1cccc(Br)n1.Fc1c(Nc2nc(-c3cccc(C(F)F)n3)nn3cccc23)ccnc1Cl.Nc1ccnc(Cl)c1F
• InChI: InChI=1S/C18H12F2N4O.C17H10ClF3N6.C6H4BrF2N.C5H4ClFN2.3C4H9.3CH4.CH3.Sn/c19-16(20)13-8-4-9-14(21-13)17-22-18(15-10-5-11-24(15)23-17)25-12-6-2-1-3-7-12;18-14-13(19)9(6-7-22-14)24-17-12-5-2-8-27(12)26-16(25-17)11-4-1-3-10(23-11)15(20)21;7-5-3-1-2-4(10-5)6(8)9;6-5-4(7)3(8)1-2-9-5;3*1-3-4-2;;;;;/h1-11,16H;1-8,15H,(H,22,24,25,26);1-3,6H;1-2H,(H2,8,9);3*1,3-4H2,2H3;3*1H4;1H3
• InChIKey: YVWQOFCQHRFTNR-UHFFFAOYSA-N
• XLogP: 20.79
• TPSA: 172.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 18
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1436.85
LogP ≤ 5	20.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(difluoromethyl)pyridine;2-chloro-3-fluoropyridin-4-amine;N-(2-chloro-3-fluoro-4-pyridinyl)-2-[6-(difluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;methane;tributyl(methyl)stannane?

The IUPAC name of 2-bromo-6-(difluoromethyl)pyridine;2-chloro-3-fluoropyridin-4-amine;N-(2-chloro-3-fluoro-4-pyridinyl)-2-[6-(difluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;methane;tributyl(methyl)stannane (CID 162029965) is 2-bromo-6-(difluoromethyl)pyridine;2-chloro-3-fluoropyridin-4-amine;N-(2-chloro-3-fluoro-4-pyridinyl)-2-[6-(difluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;methane;tributyl(methyl)stannane.

What is the SMILES notation for 2-bromo-6-(difluoromethyl)pyridine;2-chloro-3-fluoropyridin-4-amine;N-(2-chloro-3-fluoro-4-pyridinyl)-2-[6-(difluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;methane;tributyl(methyl)stannane?

The canonical SMILES for 2-bromo-6-(difluoromethyl)pyridine;2-chloro-3-fluoropyridin-4-amine;N-(2-chloro-3-fluoro-4-pyridinyl)-2-[6-(difluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;methane;tributyl(methyl)stannane is C.C.C.CCCC[Sn](C)(CCCC)CCCC.FC(F)c1cccc(-c2nc(Oc3ccccc3)c3cccn3n2)n1.FC(F)c1cccc(Br)n1.Fc1c(Nc2nc(-c3cccc(C(F)F)n3)nn3cccc23)ccnc1Cl.Nc1ccnc(Cl)c1F.

What is the InChIKey of 2-bromo-6-(difluoromethyl)pyridine;2-chloro-3-fluoropyridin-4-amine;N-(2-chloro-3-fluoro-4-pyridinyl)-2-[6-(difluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;methane;tributyl(methyl)stannane?

The InChIKey is YVWQOFCQHRFTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N4O.C17H10ClF3N6.C6H4BrF2N.C5H4ClFN2.3C4H9.3CH4.CH3.Sn/c19-16(20)13-8-4-9-14(21-13)17-22-18(15-10-5-11-24(15)23-17)25-12-6-2-1-3-7-12;18-14-13(19)9(6-7-22-14)24-17-12-5-2-8-27(12)26-16(25-17)11-4-1-3-10(23-11)15(20)21;7-5-3-1-2-4(10-5)6(8)9;6-5-4(7)3(8)1-2-9-5;3*1-3-4-2;;;;;/h1-11,16H;1-8,15H,(H,22,24,25,26);1-3,6H;1-2H,(H2,8,9);3*1,3-4H2,2H3;3*1H4;1H3;.

What are the key properties of 2-bromo-6-(difluoromethyl)pyridine;2-chloro-3-fluoropyridin-4-amine;N-(2-chloro-3-fluoro-4-pyridinyl)-2-[6-(difluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;methane;tributyl(methyl)stannane?

2-bromo-6-(difluoromethyl)pyridine;2-chloro-3-fluoropyridin-4-amine;N-(2-chloro-3-fluoro-4-pyridinyl)-2-[6-(difluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;methane;tributyl(methyl)stannane has a molecular weight of 1436.85 g/mol, XLogP of 20.79, 18 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-6-(difluoromethyl)pyridine;2-chloro-3-fluoropyridin-4-amine;N-(2-chloro-3-fluoro-4-pyridinyl)-2-[6-(difluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;methane;tributyl(methyl)stannane is sourced from PubChem (CID 162029965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).