pyridin-1-ium;tetradecane;chloride

C19H36ClN — CID 158543271

IUPACpyridin-1-ium;tetradecane;chloride
SMILESCCCCCCCCCCCCCC.[Cl-].c1cc[nH+]cc1
InChIInChI=1S/C14H30.C5H5N.ClH/c1-3-5-7-9-11-13-14-12-10-8-6-4-2;1-2-4-6-5-3-1;/h3-14H2,1-2H3;1-5H;1H
InChIKeyJVSURSFYRJAOKA-UHFFFAOYSA-N
MW313.96 g/mol
LogP3.21
Rot. Bonds11

About pyridin-1-ium;tetradecane;chloride

pyridin-1-ium;tetradecane;chloride (PubChem CID 158543271) has the molecular formula C19H36ClN and a molecular weight of 313.96 g/mol. Its IUPAC name is pyridin-1-ium;tetradecane;chloride.

Molecular Properties

Compound Namepyridin-1-ium;tetradecane;chloride
PubChem CID158543271
Molecular FormulaC19H36ClN
Molecular Weight313.96 g/mol
Exact Mass313.25
IUPAC Namepyridin-1-ium;tetradecane;chloride
SMILESCCCCCCCCCCCCCC.[Cl-].c1cc[nH+]cc1
InChIInChI=1S/C14H30.C5H5N.ClH/c1-3-5-7-9-11-13-14-12-10-8-6-4-2;1-2-4-6-5-3-1;/h3-14H2,1-2H3;1-5H;1H
InChIKeyJVSURSFYRJAOKA-UHFFFAOYSA-N
XLogP3.21
TPSA14.14 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.96
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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pyridin-1-ium;chloride;iodide
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undecane chloride
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CID 18413708
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Frequently Asked Questions

What is the IUPAC name of pyridin-1-ium;tetradecane;chloride?
The IUPAC name of pyridin-1-ium;tetradecane;chloride (CID 158543271) is pyridin-1-ium;tetradecane;chloride.
What is the SMILES notation for pyridin-1-ium;tetradecane;chloride?
The canonical SMILES for pyridin-1-ium;tetradecane;chloride is CCCCCCCCCCCCCC.[Cl-].c1cc[nH+]cc1.
What is the InChIKey of pyridin-1-ium;tetradecane;chloride?
The InChIKey is JVSURSFYRJAOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30.C5H5N.ClH/c1-3-5-7-9-11-13-14-12-10-8-6-4-2;1-2-4-6-5-3-1;/h3-14H2,1-2H3;1-5H;1H.
What are the key properties of pyridin-1-ium;tetradecane;chloride?
pyridin-1-ium;tetradecane;chloride has a molecular weight of 313.96 g/mol, XLogP of 3.21, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-1-ium;tetradecane;chloride is sourced from PubChem (CID 158543271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).