3-dodecylpyridin-1-ium chloride

C17H30ClN — CID 19818975

IUPAC3-dodecylpyridin-1-ium chloride
SMILESCCCCCCCCCCCCc1ccc[nH+]c1.[Cl-]
InChIInChI=1S/C17H29N.ClH/c1-2-3-4-5-6-7-8-9-10-11-13-17-14-12-15-18-16-17;/h12,14-16H,2-11,13H2,1H3;1H
InChIKeyNNVSLMKWRBZTIA-UHFFFAOYSA-N
MW283.89 g/mol
LogP1.97
Rot. Bonds11

About 3-dodecylpyridin-1-ium chloride

3-dodecylpyridin-1-ium chloride (PubChem CID 19818975) has the molecular formula C17H30ClN and a molecular weight of 283.89 g/mol. Its IUPAC name is 3-dodecylpyridin-1-ium chloride.

Molecular Properties

Compound Name3-dodecylpyridin-1-ium chloride
PubChem CID19818975
Molecular FormulaC17H30ClN
Molecular Weight283.89 g/mol
Exact Mass283.21
IUPAC Name3-dodecylpyridin-1-ium chloride
SMILESCCCCCCCCCCCCc1ccc[nH+]c1.[Cl-]
InChIInChI=1S/C17H29N.ClH/c1-2-3-4-5-6-7-8-9-10-11-13-17-14-12-15-18-16-17;/h12,14-16H,2-11,13H2,1H3;1H
InChIKeyNNVSLMKWRBZTIA-UHFFFAOYSA-N
XLogP1.97
TPSA14.14 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.89
LogP ≤ 51.97
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

octylbenzene
CID 16607
octacosylbenzene
CID 14228596
pentadecane;pentadecylbenzene
CID 174970881
octaoctacontylbenzene
CID 165359374
pentanonacontylbenzene
CID 165359347
4-dodecylpyridin-1-ium iodide
CID 175685302
hexylbenzene;hydrogen peroxide
CID 90001206
CID 67791041
CID 67791041
dodecylbenzene;sulfane
CID 20560423
azane;tetradecylbenzene
CID 70503489
sodium;hydride;pentadecylbenzene
CID 173461904
potassium;hydride;octadecylbenzene
CID 173344678

Frequently Asked Questions

What is the IUPAC name of 3-dodecylpyridin-1-ium chloride?
The IUPAC name of 3-dodecylpyridin-1-ium chloride (CID 19818975) is 3-dodecylpyridin-1-ium chloride.
What is the SMILES notation for 3-dodecylpyridin-1-ium chloride?
The canonical SMILES for 3-dodecylpyridin-1-ium chloride is CCCCCCCCCCCCc1ccc[nH+]c1.[Cl-].
What is the InChIKey of 3-dodecylpyridin-1-ium chloride?
The InChIKey is NNVSLMKWRBZTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N.ClH/c1-2-3-4-5-6-7-8-9-10-11-13-17-14-12-15-18-16-17;/h12,14-16H,2-11,13H2,1H3;1H.
What are the key properties of 3-dodecylpyridin-1-ium chloride?
3-dodecylpyridin-1-ium chloride has a molecular weight of 283.89 g/mol, XLogP of 1.97, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dodecylpyridin-1-ium chloride is sourced from PubChem (CID 19818975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).