1-methyl-2-tetradecylpyridin-1-ium bromide

C20H36BrN — CID 57359904

IUPAC1-methyl-2-tetradecylpyridin-1-ium bromide
SMILESCCCCCCCCCCCCCCc1cccc[n+]1C.[Br-]
InChIInChI=1S/C20H36N.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-20-18-15-16-19-21(20)2;/h15-16,18-19H,3-14,17H2,1-2H3;1H/q+1;/p-1
InChIKeyAHJDUSKITNOQGA-UHFFFAOYSA-M
MW370.42 g/mol
LogP2.76
Rot. Bonds13

About 1-methyl-2-tetradecylpyridin-1-ium bromide

1-methyl-2-tetradecylpyridin-1-ium bromide (PubChem CID 57359904) has the molecular formula C20H36BrN and a molecular weight of 370.42 g/mol. Its IUPAC name is 1-methyl-2-tetradecylpyridin-1-ium bromide.

Molecular Properties

Compound Name1-methyl-2-tetradecylpyridin-1-ium bromide
PubChem CID57359904
Molecular FormulaC20H36BrN
Molecular Weight370.42 g/mol
Exact Mass369.20
IUPAC Name1-methyl-2-tetradecylpyridin-1-ium bromide
SMILESCCCCCCCCCCCCCCc1cccc[n+]1C.[Br-]
InChIInChI=1S/C20H36N.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-20-18-15-16-19-21(20)2;/h15-16,18-19H,3-14,17H2,1-2H3;1H/q+1;/p-1
InChIKeyAHJDUSKITNOQGA-UHFFFAOYSA-M
XLogP2.76
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

2-butyl-1-methylpyridin-1-ium chloride
CID 66655977
1-methyl-2-[3-(1-methylpyridin-1-ium-2-yl)propyl]pyridin-1-ium
CID 58017438
2-decyl-1-[6-(2-decylpyridin-1-ium-1-yl)hexyl]pyridin-1-ium dibromide
CID 175685303
2-dodecylpyridin-1-ium-1-amine
CID 175382542
2-decyl-1-ethylpyridin-1-ium
CID 86100946
2-hexadecyl-1-[10-(2-hexadecylpyridin-1-ium-1-yl)decyl]pyridin-1-ium
CID 101475531
1-butyl-2-hexylpyridin-1-ium
CID 69233068
2-pentyl-1-[12-(2-pentylpyridin-1-ium-1-yl)dodecyl]pyridin-1-ium
CID 24865578
2-octyl-1-[8-(2-octylpyridin-1-ium-1-yl)octyl]pyridin-1-ium
CID 102323866
12-(1-methylpyridin-1-ium-2-yl)dodecanoic acid
CID 69480324
1-decyl-2-octylpyridin-1-ium chloride
CID 67784709
1-methyl-2-(4-methylpentyl)pyridin-1-ium
CID 58357284

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-tetradecylpyridin-1-ium bromide?
The IUPAC name of 1-methyl-2-tetradecylpyridin-1-ium bromide (CID 57359904) is 1-methyl-2-tetradecylpyridin-1-ium bromide.
What is the SMILES notation for 1-methyl-2-tetradecylpyridin-1-ium bromide?
The canonical SMILES for 1-methyl-2-tetradecylpyridin-1-ium bromide is CCCCCCCCCCCCCCc1cccc[n+]1C.[Br-].
What is the InChIKey of 1-methyl-2-tetradecylpyridin-1-ium bromide?
The InChIKey is AHJDUSKITNOQGA-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H36N.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-20-18-15-16-19-21(20)2;/h15-16,18-19H,3-14,17H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 1-methyl-2-tetradecylpyridin-1-ium bromide?
1-methyl-2-tetradecylpyridin-1-ium bromide has a molecular weight of 370.42 g/mol, XLogP of 2.76, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-tetradecylpyridin-1-ium bromide is sourced from PubChem (CID 57359904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).