1-pentyl-2H-pyridine

C10H17N — CID 54393515

IUPAC1-pentyl-2H-pyridine
SMILESCCCCCN1C=CC=CC1
InChIInChI=1S/C10H17N/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9H,2-3,5,8,10H2,1H3
InChIKeyVIHZQSOIAPTCGJ-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.56
Rot. Bonds4

About 1-pentyl-2H-pyridine

1-pentyl-2H-pyridine (PubChem CID 54393515) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 1-pentyl-2H-pyridine.

Molecular Properties

Compound Name1-pentyl-2H-pyridine
PubChem CID54393515
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name1-pentyl-2H-pyridine
SMILESCCCCCN1C=CC=CC1
InChIInChI=1S/C10H17N/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9H,2-3,5,8,10H2,1H3
InChIKeyVIHZQSOIAPTCGJ-UHFFFAOYSA-N
XLogP2.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.56
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 1-pentyl-2H-pyridine?
The IUPAC name of 1-pentyl-2H-pyridine (CID 54393515) is 1-pentyl-2H-pyridine.
What is the SMILES notation for 1-pentyl-2H-pyridine?
The canonical SMILES for 1-pentyl-2H-pyridine is CCCCCN1C=CC=CC1.
What is the InChIKey of 1-pentyl-2H-pyridine?
The InChIKey is VIHZQSOIAPTCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9H,2-3,5,8,10H2,1H3.
What are the key properties of 1-pentyl-2H-pyridine?
1-pentyl-2H-pyridine has a molecular weight of 151.25 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-2H-pyridine is sourced from PubChem (CID 54393515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).