2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;1,5-dimethylpyrazole-3-carboxylic acid;1-(1,5-dimethylpyrazol-3-yl)ethenol;bis(iridium)

C37H35F4Ir2N7O3-2 — CID 157130011

About 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;1,5-dimethylpyrazole-3-carboxylic acid;1-(1,5-dimethylpyrazol-3-yl)ethenol;bis(iridium)

2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;1,5-dimethylpyrazole-3-carboxylic acid;1-(1,5-dimethylpyrazol-3-yl)ethenol;bis(iridium) (PubChem CID 157130011) has the molecular formula C37H35F4Ir2N7O3-2 and a molecular weight of 1086.16 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;1,5-dimethylpyrazole-3-carboxylic acid;1-(1,5-dimethylpyrazol-3-yl)ethenol;bis(iridium).

Molecular Properties

• Compound Name: 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;1,5-dimethylpyrazole-3-carboxylic acid;1-(1,5-dimethylpyrazol-3-yl)ethenol;bis(iridium)
• PubChem CID: 157130011
• Molecular Formula: C37H35F4Ir2N7O3-2
• Molecular Weight: 1086.16 g/mol
• Exact Mass: 1087.20
• IUPAC Name: 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;1,5-dimethylpyrazole-3-carboxylic acid;1-(1,5-dimethylpyrazol-3-yl)ethenol;bis(iridium)
• SMILES: C=C(O)c1cc(C)n(C)n1.CNCc1ccnc(-c2[c-]cc(F)cc2F)c1.Cc1cc(C(=O)O)nn1C.Fc1c[c-]c(-c2ccccn2)c(F)c1.[Ir].[Ir]
• InChI: InChI=1S/C13H11F2N2.C11H6F2N.C7H10N2O.C6H8N2O2.2Ir/c1-16-8-9-4-5-17-13(6-9)11-3-2-10(14)7-12(11)15;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-5-4-7(6(2)10)8-9(5)3;1-4-3-5(6(9)10)7-8(4)2;;/h2,4-7,16H,8H2,1H3;1-4,6-7H;4,10H,2H2,1,3H3;3H,1-2H3,(H,9,10);;/q2*-1
• InChIKey: XZNLHRLTKQEAQV-UHFFFAOYSA-N
• XLogP: 7.05
• TPSA: 130.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1086.16
LogP ≤ 5	7.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;1,5-dimethylpyrazole-3-carboxylic acid;1-(1,5-dimethylpyrazol-3-yl)ethenol;bis(iridium)?

The IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;1,5-dimethylpyrazole-3-carboxylic acid;1-(1,5-dimethylpyrazol-3-yl)ethenol;bis(iridium) (CID 157130011) is 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;1,5-dimethylpyrazole-3-carboxylic acid;1-(1,5-dimethylpyrazol-3-yl)ethenol;bis(iridium).

What is the SMILES notation for 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;1,5-dimethylpyrazole-3-carboxylic acid;1-(1,5-dimethylpyrazol-3-yl)ethenol;bis(iridium)?

The canonical SMILES for 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;1,5-dimethylpyrazole-3-carboxylic acid;1-(1,5-dimethylpyrazol-3-yl)ethenol;bis(iridium) is C=C(O)c1cc(C)n(C)n1.CNCc1ccnc(-c2[c-]cc(F)cc2F)c1.Cc1cc(C(=O)O)nn1C.Fc1c[c-]c(-c2ccccn2)c(F)c1.[Ir].[Ir].

What is the InChIKey of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;1,5-dimethylpyrazole-3-carboxylic acid;1-(1,5-dimethylpyrazol-3-yl)ethenol;bis(iridium)?

The InChIKey is XZNLHRLTKQEAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N2.C11H6F2N.C7H10N2O.C6H8N2O2.2Ir/c1-16-8-9-4-5-17-13(6-9)11-3-2-10(14)7-12(11)15;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-5-4-7(6(2)10)8-9(5)3;1-4-3-5(6(9)10)7-8(4)2;;/h2,4-7,16H,8H2,1H3;1-4,6-7H;4,10H,2H2,1,3H3;3H,1-2H3,(H,9,10);;/q2*-1;;;;.

What are the key properties of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;1,5-dimethylpyrazole-3-carboxylic acid;1-(1,5-dimethylpyrazol-3-yl)ethenol;bis(iridium)?

2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;1,5-dimethylpyrazole-3-carboxylic acid;1-(1,5-dimethylpyrazol-3-yl)ethenol;bis(iridium) has a molecular weight of 1086.16 g/mol, XLogP of 7.05, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;1,5-dimethylpyrazole-3-carboxylic acid;1-(1,5-dimethylpyrazol-3-yl)ethenol;bis(iridium) is sourced from PubChem (CID 157130011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).