6-[1-(6-carboxy-2-pyridinyl)-1-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethyl]pyridine-2-carboxylic acid

C23H28N2O8 — CID 10434389

About 6-[1-(6-carboxy-2-pyridinyl)-1-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethyl]pyridine-2-carboxylic acid

6-[1-(6-carboxy-2-pyridinyl)-1-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethyl]pyridine-2-carboxylic acid (PubChem CID 10434389) has the molecular formula C23H28N2O8 and a molecular weight of 460.48 g/mol. Its IUPAC name is 6-[1-(6-carboxy-2-pyridinyl)-1-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethyl]pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 6-[1-(6-carboxy-2-pyridinyl)-1-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethyl]pyridine-2-carboxylic acid
• PubChem CID: 10434389
• Molecular Formula: C23H28N2O8
• Molecular Weight: 460.48 g/mol
• Exact Mass: 460.18
• IUPAC Name: 6-[1-(6-carboxy-2-pyridinyl)-1-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethyl]pyridine-2-carboxylic acid
• SMILES: CC(OCCOCCOC1CCCCO1)(c1cccc(C(=O)O)n1)c1cccc(C(=O)O)n1
• InChI: InChI=1S/C23H28N2O8/c1-23(18-8-4-6-16(24-18)21(26)27,19-9-5-7-17(25-19)22(28)29)33-15-13-30-12-14-32-20-10-2-3-11-31-20/h4-9,20H,2-3,10-15H2,1H3,(H,26,27)(H,28,29)
• InChIKey: SFVQDIHNJCMURF-UHFFFAOYSA-N
• XLogP: 2.71
• TPSA: 137.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.48
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[1-(6-carboxy-2-pyridinyl)-1-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethyl]pyridine-2-carboxylic acid?

The IUPAC name of 6-[1-(6-carboxy-2-pyridinyl)-1-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethyl]pyridine-2-carboxylic acid (CID 10434389) is 6-[1-(6-carboxy-2-pyridinyl)-1-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethyl]pyridine-2-carboxylic acid.

What is the SMILES notation for 6-[1-(6-carboxy-2-pyridinyl)-1-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethyl]pyridine-2-carboxylic acid?

The canonical SMILES for 6-[1-(6-carboxy-2-pyridinyl)-1-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethyl]pyridine-2-carboxylic acid is CC(OCCOCCOC1CCCCO1)(c1cccc(C(=O)O)n1)c1cccc(C(=O)O)n1.

What is the InChIKey of 6-[1-(6-carboxy-2-pyridinyl)-1-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethyl]pyridine-2-carboxylic acid?

The InChIKey is SFVQDIHNJCMURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O8/c1-23(18-8-4-6-16(24-18)21(26)27,19-9-5-7-17(25-19)22(28)29)33-15-13-30-12-14-32-20-10-2-3-11-31-20/h4-9,20H,2-3,10-15H2,1H3,(H,26,27)(H,28,29).

What are the key properties of 6-[1-(6-carboxy-2-pyridinyl)-1-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethyl]pyridine-2-carboxylic acid?

6-[1-(6-carboxy-2-pyridinyl)-1-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethyl]pyridine-2-carboxylic acid has a molecular weight of 460.48 g/mol, XLogP of 2.71, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-(6-carboxy-2-pyridinyl)-1-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 10434389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).