5-(2H-pyridin-1-yl)pentanoic acid

C₁₀H₁₅NO₂ — CID 151955101

About 5-(2H-pyridin-1-yl)pentanoic acid

5-(2H-pyridin-1-yl)pentanoic acid (PubChem CID 151955101) has the molecular formula C₁₀H₁₅NO₂ and a molecular weight of 181.24 g/mol. Its IUPAC name is 5-(2H-pyridin-1-yl)pentanoic acid.

Molecular Properties

• Compound Name: 5-(2H-pyridin-1-yl)pentanoic acid
• PubChem CID: 151955101
• Molecular Formula: C₁₀H₁₅NO₂
• Molecular Weight: 181.24 g/mol
• Exact Mass: 181.11
• IUPAC Name: 5-(2H-pyridin-1-yl)pentanoic acid
• SMILES: O=C(O)CCCCN1C=CC=CC1
• InChI: InChI=1S/C10H15NO2/c12-10(13)6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7H,2,5-6,8-9H2,(H,12,13)
• InChIKey: TXLQNDZXYRSHJJ-UHFFFAOYSA-N
• XLogP: 1.63
• TPSA: 40.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	181.24
LogP ≤ 5	1.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(2H-pyridin-1-yl)pentanoic acid?

The IUPAC name of 5-(2H-pyridin-1-yl)pentanoic acid (CID 151955101) is 5-(2H-pyridin-1-yl)pentanoic acid.

What is the SMILES notation for 5-(2H-pyridin-1-yl)pentanoic acid?

The canonical SMILES for 5-(2H-pyridin-1-yl)pentanoic acid is O=C(O)CCCCN1C=CC=CC1.

What is the InChIKey of 5-(2H-pyridin-1-yl)pentanoic acid?

The InChIKey is TXLQNDZXYRSHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c12-10(13)6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7H,2,5-6,8-9H2,(H,12,13).

What are the key properties of 5-(2H-pyridin-1-yl)pentanoic acid?

5-(2H-pyridin-1-yl)pentanoic acid has a molecular weight of 181.24 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2H-pyridin-1-yl)pentanoic acid is sourced from PubChem (CID 151955101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 151955101 — identifiers, structure, computed properties (public domain)

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