6-pyridin-2-ylhexanoate

C11H14NO2- — CID 7109691

IUPAC6-pyridin-2-ylhexanoate
SMILESO=C([O-])CCCCCc1ccccn1
InChIInChI=1S/C11H15NO2/c13-11(14)8-3-1-2-6-10-7-4-5-9-12-10/h4-5,7,9H,1-3,6,8H2,(H,13,14)/p-1
InChIKeyWSMRJBYOIBBOQN-UHFFFAOYSA-M
MW192.24 g/mol
LogP0.93
Rot. Bonds6

About 6-pyridin-2-ylhexanoate

6-pyridin-2-ylhexanoate (PubChem CID 7109691) has the molecular formula C11H14NO2- and a molecular weight of 192.24 g/mol. Its IUPAC name is 6-pyridin-2-ylhexanoate.

Molecular Properties

Compound Name6-pyridin-2-ylhexanoate
PubChem CID7109691
Molecular FormulaC11H14NO2-
Molecular Weight192.24 g/mol
Exact Mass192.10
IUPAC Name6-pyridin-2-ylhexanoate
SMILESO=C([O-])CCCCCc1ccccn1
InChIInChI=1S/C11H15NO2/c13-11(14)8-3-1-2-6-10-7-4-5-9-12-10/h4-5,7,9H,1-3,6,8H2,(H,13,14)/p-1
InChIKeyWSMRJBYOIBBOQN-UHFFFAOYSA-M
XLogP0.93
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(14-pyridin-2-yltetradecyl)pyridine
CID 10594187
ethyl 12-pyridin-2-yldodecanoate
CID 3298183
9-pyridin-2-ylnonan-1-ol
CID 12680899
(9Z,12Z)-18-pyridin-2-yloctadeca-9,12-dienamide
CID 122703922
1-phenyl-5-pyridin-2-ylpentane-1-thione
CID 173093355
2-hexylpyridine;nitric acid
CID 174876958
2-hydroxy-7-pyridin-2-ylheptanoic acid
CID 175122940
2-undecylpyridine
CID 66882765
2-(7-phenylheptyl)pyridine
CID 54510986
2-[6-(6-pyridin-2-ylhexoxy)hexyl]pyridine
CID 57198665
2-methylpyridine;2-(12-pyridin-2-yldodecyl)pyridine
CID 158040240
2-hexadecylpyridine;hydrate
CID 141211108

Frequently Asked Questions

What is the IUPAC name of 6-pyridin-2-ylhexanoate?
The IUPAC name of 6-pyridin-2-ylhexanoate (CID 7109691) is 6-pyridin-2-ylhexanoate.
What is the SMILES notation for 6-pyridin-2-ylhexanoate?
The canonical SMILES for 6-pyridin-2-ylhexanoate is O=C([O-])CCCCCc1ccccn1.
What is the InChIKey of 6-pyridin-2-ylhexanoate?
The InChIKey is WSMRJBYOIBBOQN-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H15NO2/c13-11(14)8-3-1-2-6-10-7-4-5-9-12-10/h4-5,7,9H,1-3,6,8H2,(H,13,14)/p-1.
What are the key properties of 6-pyridin-2-ylhexanoate?
6-pyridin-2-ylhexanoate has a molecular weight of 192.24 g/mol, XLogP of 0.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-2-ylhexanoate is sourced from PubChem (CID 7109691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).