2-bromo-6-(trifluoromethyl)pyridine;methane;4-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine;pyridin-4-amine;N-pyridin-4-yl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;tetramethylstannane

C53H55BrF9N13OSn — CID 158526693

About 2-bromo-6-(trifluoromethyl)pyridine;methane;4-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine;pyridin-4-amine;N-pyridin-4-yl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;tetramethylstannane

2-bromo-6-(trifluoromethyl)pyridine;methane;4-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine;pyridin-4-amine;N-pyridin-4-yl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;tetramethylstannane (PubChem CID 158526693) has the molecular formula C53H55BrF9N13OSn and a molecular weight of 1259.71 g/mol. Its IUPAC name is 2-bromo-6-(trifluoromethyl)pyridine;methane;4-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine;pyridin-4-amine;N-pyridin-4-yl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;tetramethylstannane.

Molecular Properties

• Compound Name: 2-bromo-6-(trifluoromethyl)pyridine;methane;4-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine;pyridin-4-amine;N-pyridin-4-yl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;tetramethylstannane
• PubChem CID: 158526693
• Molecular Formula: C53H55BrF9N13OSn
• Molecular Weight: 1259.71 g/mol
• Exact Mass: 1259.27
• IUPAC Name: 2-bromo-6-(trifluoromethyl)pyridine;methane;4-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine;pyridin-4-amine;N-pyridin-4-yl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;tetramethylstannane
• SMILES: C.C.C.C[Sn](C)(C)C.FC(F)(F)c1cccc(-c2nc(Nc3ccncc3)c3cccn3n2)n1.FC(F)(F)c1cccc(-c2nc(Oc3ccccc3)c3cccn3n2)n1.FC(F)(F)c1cccc(Br)n1.Nc1ccncc1
• InChI: InChI=1S/C18H11F3N4O.C17H11F3N6.C6H3BrF3N.C5H6N2.3CH4.4CH3.Sn/c19-18(20,21)15-10-4-8-13(22-15)16-23-17(14-9-5-11-25(14)24-16)26-12-6-2-1-3-7-12;18-17(19,20)14-5-1-3-12(23-14)15-24-16(13-4-2-10-26(13)25-15)22-11-6-8-21-9-7-11;7-5-3-1-2-4(11-5)6(8,9)10;6-5-1-3-7-4-2-5;;;;;;;;/h1-11H;1-10H,(H,21,22,24,25);1-3H;1-4H,(H2,6,7);3*1H4;4*1H3
• InChIKey: HMWGLDOLTOWGOS-UHFFFAOYSA-N
• XLogP: 15.94
• TPSA: 172.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 6
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1259.71
LogP ≤ 5	15.94
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-(trifluoromethyl)pyridine;methane;4-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine;pyridin-4-amine;N-pyridin-4-yl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;tetramethylstannane?

The IUPAC name of 2-bromo-6-(trifluoromethyl)pyridine;methane;4-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine;pyridin-4-amine;N-pyridin-4-yl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;tetramethylstannane (CID 158526693) is 2-bromo-6-(trifluoromethyl)pyridine;methane;4-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine;pyridin-4-amine;N-pyridin-4-yl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;tetramethylstannane.

What is the SMILES notation for 2-bromo-6-(trifluoromethyl)pyridine;methane;4-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine;pyridin-4-amine;N-pyridin-4-yl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;tetramethylstannane?

The canonical SMILES for 2-bromo-6-(trifluoromethyl)pyridine;methane;4-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine;pyridin-4-amine;N-pyridin-4-yl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;tetramethylstannane is C.C.C.C[Sn](C)(C)C.FC(F)(F)c1cccc(-c2nc(Nc3ccncc3)c3cccn3n2)n1.FC(F)(F)c1cccc(-c2nc(Oc3ccccc3)c3cccn3n2)n1.FC(F)(F)c1cccc(Br)n1.Nc1ccncc1.

What is the InChIKey of 2-bromo-6-(trifluoromethyl)pyridine;methane;4-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine;pyridin-4-amine;N-pyridin-4-yl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;tetramethylstannane?

The InChIKey is HMWGLDOLTOWGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N4O.C17H11F3N6.C6H3BrF3N.C5H6N2.3CH4.4CH3.Sn/c19-18(20,21)15-10-4-8-13(22-15)16-23-17(14-9-5-11-25(14)24-16)26-12-6-2-1-3-7-12;18-17(19,20)14-5-1-3-12(23-14)15-24-16(13-4-2-10-26(13)25-15)22-11-6-8-21-9-7-11;7-5-3-1-2-4(11-5)6(8,9)10;6-5-1-3-7-4-2-5;;;;;;;;/h1-11H;1-10H,(H,21,22,24,25);1-3H;1-4H,(H2,6,7);3*1H4;4*1H3;.

What are the key properties of 2-bromo-6-(trifluoromethyl)pyridine;methane;4-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine;pyridin-4-amine;N-pyridin-4-yl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;tetramethylstannane?

2-bromo-6-(trifluoromethyl)pyridine;methane;4-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine;pyridin-4-amine;N-pyridin-4-yl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;tetramethylstannane has a molecular weight of 1259.71 g/mol, XLogP of 15.94, 6 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-6-(trifluoromethyl)pyridine;methane;4-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine;pyridin-4-amine;N-pyridin-4-yl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;tetramethylstannane is sourced from PubChem (CID 158526693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).