2-bromo-6-(trifluoromethyl)pyridine;6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;3-isocyano-6-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]imidazo[1,2-a]pyridine

C38H20BrClF6N10 — CID 158247424

About 2-bromo-6-(trifluoromethyl)pyridine;6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;3-isocyano-6-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]imidazo[1,2-a]pyridine

2-bromo-6-(trifluoromethyl)pyridine;6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;3-isocyano-6-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]imidazo[1,2-a]pyridine (PubChem CID 158247424) has the molecular formula C38H20BrClF6N10 and a molecular weight of 845.99 g/mol. Its IUPAC name is 2-bromo-6-(trifluoromethyl)pyridine;6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;3-isocyano-6-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]imidazo[1,2-a]pyridine.

Molecular Properties

• Compound Name: 2-bromo-6-(trifluoromethyl)pyridine;6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;3-isocyano-6-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]imidazo[1,2-a]pyridine
• PubChem CID: 158247424
• Molecular Formula: C38H20BrClF6N10
• Molecular Weight: 845.99 g/mol
• Exact Mass: 844.06
• IUPAC Name: 2-bromo-6-(trifluoromethyl)pyridine;6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;3-isocyano-6-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]imidazo[1,2-a]pyridine
• SMILES: FC(F)(F)c1cccc(Br)n1.[C-]#[N+]c1cnc2ccc(-c3cccnc3-c3cccc(C(F)(F)F)n3)cn12.[C-]#[N+]c1cnc2ccc(-c3cccnc3Cl)cn12
• InChI: InChI=1S/C19H10F3N5.C13H7ClN4.C6H3BrF3N/c1-23-17-10-25-16-8-7-12(11-27(16)17)13-4-3-9-24-18(13)14-5-2-6-15(26-14)19(20,21)22;1-15-12-7-17-11-5-4-9(8-18(11)12)10-3-2-6-16-13(10)14;7-5-3-1-2-4(11-5)6(8,9)10/h2-11H;2-8H;1-3H
• InChIKey: GGHIHGCAYXLQQR-UHFFFAOYSA-N
• XLogP: 11.49
• TPSA: 94.88 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	845.99
LogP ≤ 5	11.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(trifluoromethyl)pyridine;6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;3-isocyano-6-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]imidazo[1,2-a]pyridine?

The IUPAC name of 2-bromo-6-(trifluoromethyl)pyridine;6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;3-isocyano-6-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]imidazo[1,2-a]pyridine (CID 158247424) is 2-bromo-6-(trifluoromethyl)pyridine;6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;3-isocyano-6-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]imidazo[1,2-a]pyridine.

What is the SMILES notation for 2-bromo-6-(trifluoromethyl)pyridine;6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;3-isocyano-6-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]imidazo[1,2-a]pyridine?

The canonical SMILES for 2-bromo-6-(trifluoromethyl)pyridine;6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;3-isocyano-6-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]imidazo[1,2-a]pyridine is FC(F)(F)c1cccc(Br)n1.[C-]#[N+]c1cnc2ccc(-c3cccnc3-c3cccc(C(F)(F)F)n3)cn12.[C-]#[N+]c1cnc2ccc(-c3cccnc3Cl)cn12.

What is the InChIKey of 2-bromo-6-(trifluoromethyl)pyridine;6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;3-isocyano-6-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]imidazo[1,2-a]pyridine?

The InChIKey is GGHIHGCAYXLQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F3N5.C13H7ClN4.C6H3BrF3N/c1-23-17-10-25-16-8-7-12(11-27(16)17)13-4-3-9-24-18(13)14-5-2-6-15(26-14)19(20,21)22;1-15-12-7-17-11-5-4-9(8-18(11)12)10-3-2-6-16-13(10)14;7-5-3-1-2-4(11-5)6(8,9)10/h2-11H;2-8H;1-3H.

What are the key properties of 2-bromo-6-(trifluoromethyl)pyridine;6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;3-isocyano-6-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]imidazo[1,2-a]pyridine?

2-bromo-6-(trifluoromethyl)pyridine;6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;3-isocyano-6-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]imidazo[1,2-a]pyridine has a molecular weight of 845.99 g/mol, XLogP of 11.49, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-6-(trifluoromethyl)pyridine;6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;3-isocyano-6-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 158247424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).