2-butyl-1-methylpyridin-1-ium chloride

C10H16ClN — CID 66655977

IUPAC2-butyl-1-methylpyridin-1-ium chloride
SMILESCCCCc1cccc[n+]1C.[Cl-]
InChIInChI=1S/C10H16N.ClH/c1-3-4-7-10-8-5-6-9-11(10)2;/h5-6,8-9H,3-4,7H2,1-2H3;1H/q+1;/p-1
InChIKeyGDEPPUYXSILOOY-UHFFFAOYSA-M
MW185.70 g/mol
LogP-1.14
Rot. Bonds3

About 2-butyl-1-methylpyridin-1-ium chloride

2-butyl-1-methylpyridin-1-ium chloride (PubChem CID 66655977) has the molecular formula C10H16ClN and a molecular weight of 185.70 g/mol. Its IUPAC name is 2-butyl-1-methylpyridin-1-ium chloride.

Molecular Properties

Compound Name2-butyl-1-methylpyridin-1-ium chloride
PubChem CID66655977
Molecular FormulaC10H16ClN
Molecular Weight185.70 g/mol
Exact Mass185.10
IUPAC Name2-butyl-1-methylpyridin-1-ium chloride
SMILESCCCCc1cccc[n+]1C.[Cl-]
InChIInChI=1S/C10H16N.ClH/c1-3-4-7-10-8-5-6-9-11(10)2;/h5-6,8-9H,3-4,7H2,1-2H3;1H/q+1;/p-1
InChIKeyGDEPPUYXSILOOY-UHFFFAOYSA-M
XLogP-1.14
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.70
LogP ≤ 5-1.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-2-tetradecylpyridin-1-ium bromide
CID 57359904
1-methyl-2-[3-(1-methylpyridin-1-ium-2-yl)propyl]pyridin-1-ium
CID 58017438
1-methyl-2-(4-methylpentyl)pyridin-1-ium
CID 58357284
bis(dimethyl-bis[(1-methylpyridin-1-ium-2-yl)methyl]azanium);pentane
CID 90993522
1-methyl-2-[2-[2-[2-(1-methylpyridin-1-ium-2-yl)ethylsulfanyl]ethylsulfanyl]ethyl]pyridin-1-ium
CID 139533756
12-(1-methylpyridin-1-ium-2-yl)dodecanoic acid
CID 69480324
2-butyl-1-dodecylpyridin-1-ium
CID 171570143
1-methyl-2-[[(1-methylpyridin-1-ium-2-yl)methyldisulfanyl]methyl]pyridin-1-ium diiodide
CID 172728060
19-(1-methylpyridin-1-ium-2-yl)nonadecanoate
CID 172805806
1-decyl-2-octylpyridin-1-ium chloride
CID 67784709
2-decyl-1-ethylpyridin-1-ium
CID 86100946
2-dodecylpyridin-1-ium-1-amine
CID 175382542

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-methylpyridin-1-ium chloride?
The IUPAC name of 2-butyl-1-methylpyridin-1-ium chloride (CID 66655977) is 2-butyl-1-methylpyridin-1-ium chloride.
What is the SMILES notation for 2-butyl-1-methylpyridin-1-ium chloride?
The canonical SMILES for 2-butyl-1-methylpyridin-1-ium chloride is CCCCc1cccc[n+]1C.[Cl-].
What is the InChIKey of 2-butyl-1-methylpyridin-1-ium chloride?
The InChIKey is GDEPPUYXSILOOY-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H16N.ClH/c1-3-4-7-10-8-5-6-9-11(10)2;/h5-6,8-9H,3-4,7H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 2-butyl-1-methylpyridin-1-ium chloride?
2-butyl-1-methylpyridin-1-ium chloride has a molecular weight of 185.70 g/mol, XLogP of -1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-methylpyridin-1-ium chloride is sourced from PubChem (CID 66655977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).