2-(3H-furan-3-id-2-yl)pyridine;4-hydroxypent-3-en-2-one;hexakis(iridium);bis(2-(5-methyl-3H-furan-3-id-2-yl)pyridine);2-(methyliminomethyl)phenol;bis(5-methyl-2-(1-phenyl-3H-pyrrol-3-id-2-yl)pyridine);2-(1-phenyl-3H-pyrrol-3-id-2-yl)pyridine;bis(pyridine-2-carboxylic acid)

C101H86Ir6N12O10-6 — CID 159303920

About 2-(3H-furan-3-id-2-yl)pyridine;4-hydroxypent-3-en-2-one;hexakis(iridium);bis(2-(5-methyl-3H-furan-3-id-2-yl)pyridine);2-(methyliminomethyl)phenol;bis(5-methyl-2-(1-phenyl-3H-pyrrol-3-id-2-yl)pyridine);2-(1-phenyl-3H-pyrrol-3-id-2-yl)pyridine;bis(pyridine-2-carboxylic acid)

2-(3H-furan-3-id-2-yl)pyridine;4-hydroxypent-3-en-2-one;hexakis(iridium);bis(2-(5-methyl-3H-furan-3-id-2-yl)pyridine);2-(methyliminomethyl)phenol;bis(5-methyl-2-(1-phenyl-3H-pyrrol-3-id-2-yl)pyridine);2-(1-phenyl-3H-pyrrol-3-id-2-yl)pyridine;bis(pyridine-2-carboxylic acid) (PubChem CID 159303920) has the molecular formula C101H86Ir6N12O10-6 and a molecular weight of 2781.17 g/mol. Its IUPAC name is 2-(3H-furan-3-id-2-yl)pyridine;4-hydroxypent-3-en-2-one;hexakis(iridium);bis(2-(5-methyl-3H-furan-3-id-2-yl)pyridine);2-(methyliminomethyl)phenol;bis(5-methyl-2-(1-phenyl-3H-pyrrol-3-id-2-yl)pyridine);2-(1-phenyl-3H-pyrrol-3-id-2-yl)pyridine;bis(pyridine-2-carboxylic acid).

Molecular Properties

• Compound Name: 2-(3H-furan-3-id-2-yl)pyridine;4-hydroxypent-3-en-2-one;hexakis(iridium);bis(2-(5-methyl-3H-furan-3-id-2-yl)pyridine);2-(methyliminomethyl)phenol;bis(5-methyl-2-(1-phenyl-3H-pyrrol-3-id-2-yl)pyridine);2-(1-phenyl-3H-pyrrol-3-id-2-yl)pyridine;bis(pyridine-2-carboxylic acid)
• PubChem CID: 159303920
• Molecular Formula: C101H86Ir6N12O10-6
• Molecular Weight: 2781.17 g/mol
• Exact Mass: 2784.44
• IUPAC Name: 2-(3H-furan-3-id-2-yl)pyridine;4-hydroxypent-3-en-2-one;hexakis(iridium);bis(2-(5-methyl-3H-furan-3-id-2-yl)pyridine);2-(methyliminomethyl)phenol;bis(5-methyl-2-(1-phenyl-3H-pyrrol-3-id-2-yl)pyridine);2-(1-phenyl-3H-pyrrol-3-id-2-yl)pyridine;bis(pyridine-2-carboxylic acid)
• SMILES: C/N=C/c1ccccc1O.CC(=O)C=C(C)O.Cc1c[c-]c(-c2ccccn2)o1.Cc1c[c-]c(-c2ccccn2)o1.Cc1ccc(-c2[c-]ccn2-c2ccccc2)nc1.Cc1ccc(-c2[c-]ccn2-c2ccccc2)nc1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccn(-c2ccccc2)c1-c1ccccn1.[c-]1ccoc1-c1ccccn1
• InChI: InChI=1S/2C16H13N2.C15H11N2.2C10H8NO.C9H6NO.C8H9NO.2C6H5NO2.C5H8O2.6Ir/c2*1-13-9-10-15(17-12-13)16-8-5-11-18(16)14-6-3-2-4-7-14;1-2-7-13(8-3-1)17-12-6-10-15(17)14-9-4-5-11-16-14;2*1-8-5-6-10(12-8)9-4-2-3-7-11-9;1-2-6-10-8(4-1)9-5-3-7-11-9;1-9-6-7-4-2-3-5-8(7)10;2*8-6(9)5-3-1-2-4-7-5;1-4(6)3-5(2)7;;;;;;/h2*2-7,9-12H,1H3;1-9,11-12H;2*2-5,7H,1H3;1-4,6-7H;2-6,10H,1H3;2*1-4H,(H,8,9);3,6H,1-2H3;;;;;;/q6*-1;;;;;;;;;;/b;;;;;;9-6+
• InChIKey: MEBHMLHZGPQRRX-QAWRMCLASA-N
• XLogP: 21.70
• TPSA: 301.82 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 13
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2781.17
LogP ≤ 5	21.70
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3H-furan-3-id-2-yl)pyridine;4-hydroxypent-3-en-2-one;hexakis(iridium);bis(2-(5-methyl-3H-furan-3-id-2-yl)pyridine);2-(methyliminomethyl)phenol;bis(5-methyl-2-(1-phenyl-3H-pyrrol-3-id-2-yl)pyridine);2-(1-phenyl-3H-pyrrol-3-id-2-yl)pyridine;bis(pyridine-2-carboxylic acid)?

The IUPAC name of 2-(3H-furan-3-id-2-yl)pyridine;4-hydroxypent-3-en-2-one;hexakis(iridium);bis(2-(5-methyl-3H-furan-3-id-2-yl)pyridine);2-(methyliminomethyl)phenol;bis(5-methyl-2-(1-phenyl-3H-pyrrol-3-id-2-yl)pyridine);2-(1-phenyl-3H-pyrrol-3-id-2-yl)pyridine;bis(pyridine-2-carboxylic acid) (CID 159303920) is 2-(3H-furan-3-id-2-yl)pyridine;4-hydroxypent-3-en-2-one;hexakis(iridium);bis(2-(5-methyl-3H-furan-3-id-2-yl)pyridine);2-(methyliminomethyl)phenol;bis(5-methyl-2-(1-phenyl-3H-pyrrol-3-id-2-yl)pyridine);2-(1-phenyl-3H-pyrrol-3-id-2-yl)pyridine;bis(pyridine-2-carboxylic acid).

What is the SMILES notation for 2-(3H-furan-3-id-2-yl)pyridine;4-hydroxypent-3-en-2-one;hexakis(iridium);bis(2-(5-methyl-3H-furan-3-id-2-yl)pyridine);2-(methyliminomethyl)phenol;bis(5-methyl-2-(1-phenyl-3H-pyrrol-3-id-2-yl)pyridine);2-(1-phenyl-3H-pyrrol-3-id-2-yl)pyridine;bis(pyridine-2-carboxylic acid)?

The canonical SMILES for 2-(3H-furan-3-id-2-yl)pyridine;4-hydroxypent-3-en-2-one;hexakis(iridium);bis(2-(5-methyl-3H-furan-3-id-2-yl)pyridine);2-(methyliminomethyl)phenol;bis(5-methyl-2-(1-phenyl-3H-pyrrol-3-id-2-yl)pyridine);2-(1-phenyl-3H-pyrrol-3-id-2-yl)pyridine;bis(pyridine-2-carboxylic acid) is C/N=C/c1ccccc1O.CC(=O)C=C(C)O.Cc1c[c-]c(-c2ccccn2)o1.Cc1c[c-]c(-c2ccccn2)o1.Cc1ccc(-c2[c-]ccn2-c2ccccc2)nc1.Cc1ccc(-c2[c-]ccn2-c2ccccc2)nc1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccn(-c2ccccc2)c1-c1ccccn1.[c-]1ccoc1-c1ccccn1.

What is the InChIKey of 2-(3H-furan-3-id-2-yl)pyridine;4-hydroxypent-3-en-2-one;hexakis(iridium);bis(2-(5-methyl-3H-furan-3-id-2-yl)pyridine);2-(methyliminomethyl)phenol;bis(5-methyl-2-(1-phenyl-3H-pyrrol-3-id-2-yl)pyridine);2-(1-phenyl-3H-pyrrol-3-id-2-yl)pyridine;bis(pyridine-2-carboxylic acid)?

The InChIKey is MEBHMLHZGPQRRX-QAWRMCLASA-N. The full InChI is InChI=1S/2C16H13N2.C15H11N2.2C10H8NO.C9H6NO.C8H9NO.2C6H5NO2.C5H8O2.6Ir/c2*1-13-9-10-15(17-12-13)16-8-5-11-18(16)14-6-3-2-4-7-14;1-2-7-13(8-3-1)17-12-6-10-15(17)14-9-4-5-11-16-14;2*1-8-5-6-10(12-8)9-4-2-3-7-11-9;1-2-6-10-8(4-1)9-5-3-7-11-9;1-9-6-7-4-2-3-5-8(7)10;2*8-6(9)5-3-1-2-4-7-5;1-4(6)3-5(2)7;;;;;;/h2*2-7,9-12H,1H3;1-9,11-12H;2*2-5,7H,1H3;1-4,6-7H;2-6,10H,1H3;2*1-4H,(H,8,9);3,6H,1-2H3;;;;;;/q6*-1;;;;;;;;;;/b;;;;;;9-6+;;;;;;;;;.

What are the key properties of 2-(3H-furan-3-id-2-yl)pyridine;4-hydroxypent-3-en-2-one;hexakis(iridium);bis(2-(5-methyl-3H-furan-3-id-2-yl)pyridine);2-(methyliminomethyl)phenol;bis(5-methyl-2-(1-phenyl-3H-pyrrol-3-id-2-yl)pyridine);2-(1-phenyl-3H-pyrrol-3-id-2-yl)pyridine;bis(pyridine-2-carboxylic acid)?

2-(3H-furan-3-id-2-yl)pyridine;4-hydroxypent-3-en-2-one;hexakis(iridium);bis(2-(5-methyl-3H-furan-3-id-2-yl)pyridine);2-(methyliminomethyl)phenol;bis(5-methyl-2-(1-phenyl-3H-pyrrol-3-id-2-yl)pyridine);2-(1-phenyl-3H-pyrrol-3-id-2-yl)pyridine;bis(pyridine-2-carboxylic acid) has a molecular weight of 2781.17 g/mol, XLogP of 21.70, 13 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3H-furan-3-id-2-yl)pyridine;4-hydroxypent-3-en-2-one;hexakis(iridium);bis(2-(5-methyl-3H-furan-3-id-2-yl)pyridine);2-(methyliminomethyl)phenol;bis(5-methyl-2-(1-phenyl-3H-pyrrol-3-id-2-yl)pyridine);2-(1-phenyl-3H-pyrrol-3-id-2-yl)pyridine;bis(pyridine-2-carboxylic acid) is sourced from PubChem (CID 159303920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).