3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidine;2-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-6-bromopyridine;2,6-dibromopyridine

C36H25Br3F18N4 — CID 161422058

About 3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidine;2-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-6-bromopyridine;2,6-dibromopyridine

3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidine;2-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-6-bromopyridine;2,6-dibromopyridine (PubChem CID 161422058) has the molecular formula C36H25Br3F18N4 and a molecular weight of 1095.30 g/mol. Its IUPAC name is 3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidine;2-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-6-bromopyridine;2,6-dibromopyridine.

Molecular Properties

• Compound Name: 3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidine;2-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-6-bromopyridine;2,6-dibromopyridine
• PubChem CID: 161422058
• Molecular Formula: C36H25Br3F18N4
• Molecular Weight: 1095.30 g/mol
• Exact Mass: 1091.93
• IUPAC Name: 3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidine;2-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-6-bromopyridine;2,6-dibromopyridine
• SMILES: Brc1cccc(Br)n1.FC(F)(F)c1cc(C(F)(F)F)cc(C2(C(F)(F)F)CCN(c3cccc(Br)n3)C2)c1.FC(F)(F)c1cc(C(F)(F)F)cc(C2(C(F)(F)F)CCNC2)c1
• InChI: InChI=1S/C18H12BrF9N2.C13H10F9N.C5H3Br2N/c19-13-2-1-3-14(29-13)30-5-4-15(9-30,18(26,27)28)10-6-11(16(20,21)22)8-12(7-10)17(23,24)25;14-11(15,16)8-3-7(4-9(5-8)12(17,18)19)10(13(20,21)22)1-2-23-6-10;6-4-2-1-3-5(7)8-4/h1-3,6-8H,4-5,9H2;3-5,23H,1-2,6H2;1-3H
• InChIKey: VWWAYQFTSXPDKN-UHFFFAOYSA-N
• XLogP: 13.72
• TPSA: 41.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1095.30
LogP ≤ 5	13.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidine;2-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-6-bromopyridine;2,6-dibromopyridine?

The IUPAC name of 3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidine;2-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-6-bromopyridine;2,6-dibromopyridine (CID 161422058) is 3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidine;2-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-6-bromopyridine;2,6-dibromopyridine.

What is the SMILES notation for 3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidine;2-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-6-bromopyridine;2,6-dibromopyridine?

The canonical SMILES for 3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidine;2-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-6-bromopyridine;2,6-dibromopyridine is Brc1cccc(Br)n1.FC(F)(F)c1cc(C(F)(F)F)cc(C2(C(F)(F)F)CCN(c3cccc(Br)n3)C2)c1.FC(F)(F)c1cc(C(F)(F)F)cc(C2(C(F)(F)F)CCNC2)c1.

What is the InChIKey of 3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidine;2-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-6-bromopyridine;2,6-dibromopyridine?

The InChIKey is VWWAYQFTSXPDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrF9N2.C13H10F9N.C5H3Br2N/c19-13-2-1-3-14(29-13)30-5-4-15(9-30,18(26,27)28)10-6-11(16(20,21)22)8-12(7-10)17(23,24)25;14-11(15,16)8-3-7(4-9(5-8)12(17,18)19)10(13(20,21)22)1-2-23-6-10;6-4-2-1-3-5(7)8-4/h1-3,6-8H,4-5,9H2;3-5,23H,1-2,6H2;1-3H.

What are the key properties of 3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidine;2-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-6-bromopyridine;2,6-dibromopyridine?

3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidine;2-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-6-bromopyridine;2,6-dibromopyridine has a molecular weight of 1095.30 g/mol, XLogP of 13.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidine;2-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-6-bromopyridine;2,6-dibromopyridine is sourced from PubChem (CID 161422058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).