2-pentylpyridine

C10H15N — CID 16800

IUPAC2-pentylpyridine
SMILESCCCCCc1ccccn1
InChIInChI=1S/C10H15N/c1-2-3-4-7-10-8-5-6-9-11-10/h5-6,8-9H,2-4,7H2,1H3
InChIKeyHSDXVAOHEOSTFZ-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.81
Rot. Bonds4

About 2-pentylpyridine

2-pentylpyridine (PubChem CID 16800) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 2-pentylpyridine.

Molecular Properties

Compound Name2-pentylpyridine
PubChem CID16800
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name2-pentylpyridine
SMILESCCCCCc1ccccn1
InChIInChI=1S/C10H15N/c1-2-3-4-7-10-8-5-6-9-11-10/h5-6,8-9H,2-4,7H2,1H3
InChIKeyHSDXVAOHEOSTFZ-UHFFFAOYSA-N
XLogP2.81
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-pentylpyridine?
The IUPAC name of 2-pentylpyridine (CID 16800) is 2-pentylpyridine.
What is the SMILES notation for 2-pentylpyridine?
The canonical SMILES for 2-pentylpyridine is CCCCCc1ccccn1.
What is the InChIKey of 2-pentylpyridine?
The InChIKey is HSDXVAOHEOSTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-2-3-4-7-10-8-5-6-9-11-10/h5-6,8-9H,2-4,7H2,1H3.
What are the key properties of 2-pentylpyridine?
2-pentylpyridine has a molecular weight of 149.24 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentylpyridine is sourced from PubChem (CID 16800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).