2,4,6-trimethylpyridin-1-ium chloride

C8H12ClN — CID 11062647

IUPAC2,4,6-trimethylpyridin-1-ium chloride
SMILESCc1cc(C)[nH+]c(C)c1.[Cl-]
InChIInChI=1S/C8H11N.ClH/c1-6-4-7(2)9-8(3)5-6;/h4-5H,1-3H3;1H
InChIKeyLKPFWCPZERQLFI-UHFFFAOYSA-N
MW157.64 g/mol
LogP-1.57
Rot. Bonds

About 2,4,6-trimethylpyridin-1-ium chloride

2,4,6-trimethylpyridin-1-ium chloride (PubChem CID 11062647) has the molecular formula C8H12ClN and a molecular weight of 157.64 g/mol. Its IUPAC name is 2,4,6-trimethylpyridin-1-ium chloride.

Molecular Properties

Compound Name2,4,6-trimethylpyridin-1-ium chloride
PubChem CID11062647
Molecular FormulaC8H12ClN
Molecular Weight157.64 g/mol
Exact Mass157.07
IUPAC Name2,4,6-trimethylpyridin-1-ium chloride
SMILESCc1cc(C)[nH+]c(C)c1.[Cl-]
InChIInChI=1S/C8H11N.ClH/c1-6-4-7(2)9-8(3)5-6;/h4-5H,1-3H3;1H
InChIKeyLKPFWCPZERQLFI-UHFFFAOYSA-N
XLogP-1.57
TPSA14.14 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.64
LogP ≤ 5-1.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethylpyridin-1-ium chloride?
The IUPAC name of 2,4,6-trimethylpyridin-1-ium chloride (CID 11062647) is 2,4,6-trimethylpyridin-1-ium chloride.
What is the SMILES notation for 2,4,6-trimethylpyridin-1-ium chloride?
The canonical SMILES for 2,4,6-trimethylpyridin-1-ium chloride is Cc1cc(C)[nH+]c(C)c1.[Cl-].
What is the InChIKey of 2,4,6-trimethylpyridin-1-ium chloride?
The InChIKey is LKPFWCPZERQLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.ClH/c1-6-4-7(2)9-8(3)5-6;/h4-5H,1-3H3;1H.
What are the key properties of 2,4,6-trimethylpyridin-1-ium chloride?
2,4,6-trimethylpyridin-1-ium chloride has a molecular weight of 157.64 g/mol, XLogP of -1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethylpyridin-1-ium chloride is sourced from PubChem (CID 11062647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).