4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butanoic acid;molecular fluorine;molecular iodine;bis(2-pyridin-2-ylpyridine);ruthenium(1+);tetrafluoro-(tetrafluoro-λ5-phosphanyl)-λ5-phosphane

C35H32F12I2N6O2P2Ru+ — CID 161329789

About 4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butanoic acid;molecular fluorine;molecular iodine;bis(2-pyridin-2-ylpyridine);ruthenium(1+);tetrafluoro-(tetrafluoro-λ5-phosphanyl)-λ5-phosphane

4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butanoic acid;molecular fluorine;molecular iodine;bis(2-pyridin-2-ylpyridine);ruthenium(1+);tetrafluoro-(tetrafluoro-λ5-phosphanyl)-λ5-phosphane (PubChem CID 161329789) has the molecular formula C35H32F12I2N6O2P2Ru+ and a molecular weight of 1213.48 g/mol. Its IUPAC name is 4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butanoic acid;molecular fluorine;molecular iodine;bis(2-pyridin-2-ylpyridine);ruthenium(1+);tetrafluoro-(tetrafluoro-λ5-phosphanyl)-λ5-phosphane.

Molecular Properties

• Compound Name: 4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butanoic acid;molecular fluorine;molecular iodine;bis(2-pyridin-2-ylpyridine);ruthenium(1+);tetrafluoro-(tetrafluoro-λ5-phosphanyl)-λ5-phosphane
• PubChem CID: 161329789
• Molecular Formula: C35H32F12I2N6O2P2Ru+
• Molecular Weight: 1213.48 g/mol
• Exact Mass: 1213.90
• IUPAC Name: 4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butanoic acid;molecular fluorine;molecular iodine;bis(2-pyridin-2-ylpyridine);ruthenium(1+);tetrafluoro-(tetrafluoro-λ5-phosphanyl)-λ5-phosphane
• SMILES: Cc1ccnc(-c2cc(CCCC(=O)O)ccn2)c1.FF.FF.FP(F)(F)(F)P(F)(F)(F)F.II.[Ru+].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
• InChI: InChI=1S/C15H16N2O2.2C10H8N2.F8P2.2F2.I2.Ru/c1-11-5-7-16-13(9-11)14-10-12(6-8-17-14)3-2-4-15(18)19;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-9(2,3,4)10(5,6,7)8;3*1-2;/h5-10H,2-4H2,1H3,(H,18,19);2*1-8H;;;;;/q;;;;;;;+1
• InChIKey: VLGOGXRZTQUHBU-UHFFFAOYSA-N
• XLogP: 15.68
• TPSA: 114.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1213.48
LogP ≤ 5	15.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butanoic acid;molecular fluorine;molecular iodine;bis(2-pyridin-2-ylpyridine);ruthenium(1+);tetrafluoro-(tetrafluoro-λ5-phosphanyl)-λ5-phosphane?

The IUPAC name of 4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butanoic acid;molecular fluorine;molecular iodine;bis(2-pyridin-2-ylpyridine);ruthenium(1+);tetrafluoro-(tetrafluoro-λ5-phosphanyl)-λ5-phosphane (CID 161329789) is 4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butanoic acid;molecular fluorine;molecular iodine;bis(2-pyridin-2-ylpyridine);ruthenium(1+);tetrafluoro-(tetrafluoro-λ5-phosphanyl)-λ5-phosphane.

What is the SMILES notation for 4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butanoic acid;molecular fluorine;molecular iodine;bis(2-pyridin-2-ylpyridine);ruthenium(1+);tetrafluoro-(tetrafluoro-λ5-phosphanyl)-λ5-phosphane?

The canonical SMILES for 4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butanoic acid;molecular fluorine;molecular iodine;bis(2-pyridin-2-ylpyridine);ruthenium(1+);tetrafluoro-(tetrafluoro-λ5-phosphanyl)-λ5-phosphane is Cc1ccnc(-c2cc(CCCC(=O)O)ccn2)c1.FF.FF.FP(F)(F)(F)P(F)(F)(F)F.II.[Ru+].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.

What is the InChIKey of 4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butanoic acid;molecular fluorine;molecular iodine;bis(2-pyridin-2-ylpyridine);ruthenium(1+);tetrafluoro-(tetrafluoro-λ5-phosphanyl)-λ5-phosphane?

The InChIKey is VLGOGXRZTQUHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2.2C10H8N2.F8P2.2F2.I2.Ru/c1-11-5-7-16-13(9-11)14-10-12(6-8-17-14)3-2-4-15(18)19;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-9(2,3,4)10(5,6,7)8;3*1-2;/h5-10H,2-4H2,1H3,(H,18,19);2*1-8H;;;;;/q;;;;;;;+1.

What are the key properties of 4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butanoic acid;molecular fluorine;molecular iodine;bis(2-pyridin-2-ylpyridine);ruthenium(1+);tetrafluoro-(tetrafluoro-λ5-phosphanyl)-λ5-phosphane?

4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butanoic acid;molecular fluorine;molecular iodine;bis(2-pyridin-2-ylpyridine);ruthenium(1+);tetrafluoro-(tetrafluoro-λ5-phosphanyl)-λ5-phosphane has a molecular weight of 1213.48 g/mol, XLogP of 15.68, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butanoic acid;molecular fluorine;molecular iodine;bis(2-pyridin-2-ylpyridine);ruthenium(1+);tetrafluoro-(tetrafluoro-λ5-phosphanyl)-λ5-phosphane is sourced from PubChem (CID 161329789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).