1-pentadecyl-2-pyridin-2-ylpyridin-1-ium

C25H39N2+ — CID 10003749

IUPAC1-pentadecyl-2-pyridin-2-ylpyridin-1-ium
SMILESCCCCCCCCCCCCCCC[n+]1ccccc1-c1ccccn1
InChIInChI=1S/C25H39N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-22-27-23-18-15-20-25(27)24-19-14-16-21-26-24/h14-16,18-21,23H,2-13,17,22H2,1H3/q+1
InChIKeySLQMSCXPBCLTEG-UHFFFAOYSA-N
MW367.60 g/mol
LogP7.13
Rot. Bonds15

About 1-pentadecyl-2-pyridin-2-ylpyridin-1-ium

1-pentadecyl-2-pyridin-2-ylpyridin-1-ium (PubChem CID 10003749) has the molecular formula C25H39N2+ and a molecular weight of 367.60 g/mol. Its IUPAC name is 1-pentadecyl-2-pyridin-2-ylpyridin-1-ium.

Molecular Properties

Compound Name1-pentadecyl-2-pyridin-2-ylpyridin-1-ium
PubChem CID10003749
Molecular FormulaC25H39N2+
Molecular Weight367.60 g/mol
Exact Mass367.31
IUPAC Name1-pentadecyl-2-pyridin-2-ylpyridin-1-ium
SMILESCCCCCCCCCCCCCCC[n+]1ccccc1-c1ccccn1
InChIInChI=1S/C25H39N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-22-27-23-18-15-20-25(27)24-19-14-16-21-26-24/h14-16,18-21,23H,2-13,17,22H2,1H3/q+1
InChIKeySLQMSCXPBCLTEG-UHFFFAOYSA-N
XLogP7.13
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.60
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-pentadecyl-2-pyridin-2-ylpyridin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-hexadecyl-2-pyridin-2-ylpyridin-1-ium
CID 10367049
1-octadecyl-2-pyridin-2-ylpyridin-1-ium bromide
CID 10254975
1-nonyl-2-pyridin-2-ylpyridin-1-ium bromide
CID 11726206
(5Z,7Z)-1-[5-(2-pyridin-2-ylpyridin-1-ium-1-yl)pentyl]pyrido[2,3-c]azocin-1-ium bromide
CID 5382361
1-decyl-2-fluoropyrimidin-1-ium
CID 70420703
1-decyl-2-octylpyridin-1-ium chloride
CID 67784709
2-(2-pentyl-1H-pyrazol-2-ium-5-yl)pyridine chloride
CID 139163628
2-bromo-1-octadecylpyridin-1-ium
CID 159905409
1-dodecyl-2-ethylpyridin-1-ium
CID 57483554
2-bromo-1-docosylpyridin-1-ium
CID 174958496
1-hexylpyridin-1-ium-2-amine
CID 12924167
1-heptyl-2-pyridin-1-ium-1-ylpyridin-1-ium dichloride
CID 70005221

Frequently Asked Questions

What is the IUPAC name of 1-pentadecyl-2-pyridin-2-ylpyridin-1-ium?
The IUPAC name of 1-pentadecyl-2-pyridin-2-ylpyridin-1-ium (CID 10003749) is 1-pentadecyl-2-pyridin-2-ylpyridin-1-ium.
What is the SMILES notation for 1-pentadecyl-2-pyridin-2-ylpyridin-1-ium?
The canonical SMILES for 1-pentadecyl-2-pyridin-2-ylpyridin-1-ium is CCCCCCCCCCCCCCC[n+]1ccccc1-c1ccccn1.
What is the InChIKey of 1-pentadecyl-2-pyridin-2-ylpyridin-1-ium?
The InChIKey is SLQMSCXPBCLTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-22-27-23-18-15-20-25(27)24-19-14-16-21-26-24/h14-16,18-21,23H,2-13,17,22H2,1H3/q+1.
What are the key properties of 1-pentadecyl-2-pyridin-2-ylpyridin-1-ium?
1-pentadecyl-2-pyridin-2-ylpyridin-1-ium has a molecular weight of 367.60 g/mol, XLogP of 7.13, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentadecyl-2-pyridin-2-ylpyridin-1-ium is sourced from PubChem (CID 10003749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).