6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;bis(3-isocyano-6-[2-(6-methoxy-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine);2-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C63H51BClN15O5 — CID 158212496

About 6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;bis(3-isocyano-6-[2-(6-methoxy-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine);2-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;bis(3-isocyano-6-[2-(6-methoxy-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine);2-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (PubChem CID 158212496) has the molecular formula C63H51BClN15O5 and a molecular weight of 1144.47 g/mol. Its IUPAC name is 6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;bis(3-isocyano-6-[2-(6-methoxy-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine);2-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

Molecular Properties

• Compound Name: 6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;bis(3-isocyano-6-[2-(6-methoxy-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine);2-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• PubChem CID: 158212496
• Molecular Formula: C63H51BClN15O5
• Molecular Weight: 1144.47 g/mol
• Exact Mass: 1143.40
• IUPAC Name: 6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;bis(3-isocyano-6-[2-(6-methoxy-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine);2-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• SMILES: COc1cccc(B2OC(C)(C)C(C)(C)O2)n1.[C-]#[N+]c1cnc2ccc(-c3cccnc3-c3cccc(OC)n3)cn12.[C-]#[N+]c1cnc2ccc(-c3cccnc3-c3cccc(OC)n3)cn12.[C-]#[N+]c1cnc2ccc(-c3cccnc3Cl)cn12
• InChI: InChI=1S/2C19H13N5O.C13H7ClN4.C12H18BNO3/c2*1-20-17-11-22-16-9-8-13(12-24(16)17)14-5-4-10-21-19(14)15-6-3-7-18(23-15)25-2;1-15-12-7-17-11-5-4-9(8-18(11)12)10-3-2-6-16-13(10)14;1-11(2)12(3,4)17-13(16-11)9-7-6-8-10(14-9)15-5/h2*3-12H,2H3;2-8H;6-8H,1-5H3
• InChIKey: GCGAVNFJITULNS-UHFFFAOYSA-N
• XLogP: 13.03
• TPSA: 188.47 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 9
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1144.47
LogP ≤ 5	13.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;bis(3-isocyano-6-[2-(6-methoxy-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine);2-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

The IUPAC name of 6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;bis(3-isocyano-6-[2-(6-methoxy-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine);2-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CID 158212496) is 6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;bis(3-isocyano-6-[2-(6-methoxy-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine);2-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

What is the SMILES notation for 6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;bis(3-isocyano-6-[2-(6-methoxy-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine);2-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

The canonical SMILES for 6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;bis(3-isocyano-6-[2-(6-methoxy-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine);2-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is COc1cccc(B2OC(C)(C)C(C)(C)O2)n1.[C-]#[N+]c1cnc2ccc(-c3cccnc3-c3cccc(OC)n3)cn12.[C-]#[N+]c1cnc2ccc(-c3cccnc3-c3cccc(OC)n3)cn12.[C-]#[N+]c1cnc2ccc(-c3cccnc3Cl)cn12.

What is the InChIKey of 6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;bis(3-isocyano-6-[2-(6-methoxy-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine);2-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

The InChIKey is GCGAVNFJITULNS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H13N5O.C13H7ClN4.C12H18BNO3/c2*1-20-17-11-22-16-9-8-13(12-24(16)17)14-5-4-10-21-19(14)15-6-3-7-18(23-15)25-2;1-15-12-7-17-11-5-4-9(8-18(11)12)10-3-2-6-16-13(10)14;1-11(2)12(3,4)17-13(16-11)9-7-6-8-10(14-9)15-5/h2*3-12H,2H3;2-8H;6-8H,1-5H3.

What are the key properties of 6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;bis(3-isocyano-6-[2-(6-methoxy-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine);2-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;bis(3-isocyano-6-[2-(6-methoxy-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine);2-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine has a molecular weight of 1144.47 g/mol, XLogP of 13.03, 9 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;bis(3-isocyano-6-[2-(6-methoxy-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine);2-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is sourced from PubChem (CID 158212496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).