5-pyridin-2-ylpentanal

C10H13NO — CID 13416615

IUPAC5-pyridin-2-ylpentanal
SMILESO=CCCCCc1ccccn1
InChIInChI=1S/C10H13NO/c12-9-5-1-2-6-10-7-3-4-8-11-10/h3-4,7-9H,1-2,5-6H2
InChIKeyKFQGUPSHCSOTIH-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.99
Rot. Bonds5

About 5-pyridin-2-ylpentanal

5-pyridin-2-ylpentanal (PubChem CID 13416615) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 5-pyridin-2-ylpentanal.

Molecular Properties

Compound Name5-pyridin-2-ylpentanal
PubChem CID13416615
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name5-pyridin-2-ylpentanal
SMILESO=CCCCCc1ccccn1
InChIInChI=1S/C10H13NO/c12-9-5-1-2-6-10-7-3-4-8-11-10/h3-4,7-9H,1-2,5-6H2
InChIKeyKFQGUPSHCSOTIH-UHFFFAOYSA-N
XLogP1.99
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(14-pyridin-2-yltetradecyl)pyridine
CID 10594187
2-oct-7-enylpyridine
CID 57031977
3-(2-pyridin-2-ylethoxy)propanal
CID 63039480
4-pyridin-2-ylbutylphosphane
CID 175102115
9-pyridin-2-ylnonan-1-ol
CID 12680899
2-undecylpyridine
CID 66882765
2-(7-phenylheptyl)pyridine
CID 54510986
(9Z,12Z)-18-pyridin-2-yloctadeca-9,12-dienamide
CID 122703922
4-pyridin-2-yl-N-(pyridin-2-ylmethyl)butan-1-amine
CID 158855450
2-hex-4-enylpyridine
CID 174507430
chromium;2-pentylpyridine;hydrochloride
CID 175220071
2-methylpyridine;2-(12-pyridin-2-yldodecyl)pyridine
CID 158040240

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-2-ylpentanal?
The IUPAC name of 5-pyridin-2-ylpentanal (CID 13416615) is 5-pyridin-2-ylpentanal.
What is the SMILES notation for 5-pyridin-2-ylpentanal?
The canonical SMILES for 5-pyridin-2-ylpentanal is O=CCCCCc1ccccn1.
What is the InChIKey of 5-pyridin-2-ylpentanal?
The InChIKey is KFQGUPSHCSOTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c12-9-5-1-2-6-10-7-3-4-8-11-10/h3-4,7-9H,1-2,5-6H2.
What are the key properties of 5-pyridin-2-ylpentanal?
5-pyridin-2-ylpentanal has a molecular weight of 163.22 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-2-ylpentanal is sourced from PubChem (CID 13416615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).