1-nonyl-2-pyridin-2-ylpyridin-1-ium bromide

C19H27BrN2 — CID 11726206

IUPAC1-nonyl-2-pyridin-2-ylpyridin-1-ium bromide
SMILESCCCCCCCCC[n+]1ccccc1-c1ccccn1.[Br-]
InChIInChI=1S/C19H27N2.BrH/c1-2-3-4-5-6-7-11-16-21-17-12-9-14-19(21)18-13-8-10-15-20-18;/h8-10,12-15,17H,2-7,11,16H2,1H3;1H/q+1;/p-1
InChIKeyJUCYEHOFLXYQLM-UHFFFAOYSA-M
MW363.34 g/mol
LogP1.79
Rot. Bonds9

About 1-nonyl-2-pyridin-2-ylpyridin-1-ium bromide

1-nonyl-2-pyridin-2-ylpyridin-1-ium bromide (PubChem CID 11726206) has the molecular formula C19H27BrN2 and a molecular weight of 363.34 g/mol. Its IUPAC name is 1-nonyl-2-pyridin-2-ylpyridin-1-ium bromide.

Molecular Properties

Compound Name1-nonyl-2-pyridin-2-ylpyridin-1-ium bromide
PubChem CID11726206
Molecular FormulaC19H27BrN2
Molecular Weight363.34 g/mol
Exact Mass362.14
IUPAC Name1-nonyl-2-pyridin-2-ylpyridin-1-ium bromide
SMILESCCCCCCCCC[n+]1ccccc1-c1ccccn1.[Br-]
InChIInChI=1S/C19H27N2.BrH/c1-2-3-4-5-6-7-11-16-21-17-12-9-14-19(21)18-13-8-10-15-20-18;/h8-10,12-15,17H,2-7,11,16H2,1H3;1H/q+1;/p-1
InChIKeyJUCYEHOFLXYQLM-UHFFFAOYSA-M
XLogP1.79
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 51.79
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'}

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Related Compounds

1-octadecyl-2-pyridin-2-ylpyridin-1-ium bromide
CID 10254975
1-hexadecyl-2-pyridin-2-ylpyridin-1-ium
CID 10367049
1-pentadecyl-2-pyridin-2-ylpyridin-1-ium
CID 10003749
(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 bromide
CID 70420702
1-decyl-2-octylpyridin-1-ium chloride
CID 67784709
1-decyl-2-fluoropyrimidin-1-ium
CID 70420703
2-decyl-1-[6-(2-decylpyridin-1-ium-1-yl)hexyl]pyridin-1-ium dibromide
CID 175685303
1-hexadecylquinoxalin-1-ium bromide
CID 139756778
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

Frequently Asked Questions

What is the IUPAC name of 1-nonyl-2-pyridin-2-ylpyridin-1-ium bromide?
The IUPAC name of 1-nonyl-2-pyridin-2-ylpyridin-1-ium bromide (CID 11726206) is 1-nonyl-2-pyridin-2-ylpyridin-1-ium bromide.
What is the SMILES notation for 1-nonyl-2-pyridin-2-ylpyridin-1-ium bromide?
The canonical SMILES for 1-nonyl-2-pyridin-2-ylpyridin-1-ium bromide is CCCCCCCCC[n+]1ccccc1-c1ccccn1.[Br-].
What is the InChIKey of 1-nonyl-2-pyridin-2-ylpyridin-1-ium bromide?
The InChIKey is JUCYEHOFLXYQLM-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H27N2.BrH/c1-2-3-4-5-6-7-11-16-21-17-12-9-14-19(21)18-13-8-10-15-20-18;/h8-10,12-15,17H,2-7,11,16H2,1H3;1H/q+1;/p-1.
What are the key properties of 1-nonyl-2-pyridin-2-ylpyridin-1-ium bromide?
1-nonyl-2-pyridin-2-ylpyridin-1-ium bromide has a molecular weight of 363.34 g/mol, XLogP of 1.79, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nonyl-2-pyridin-2-ylpyridin-1-ium bromide is sourced from PubChem (CID 11726206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).