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

C8H12ClNO4 — CID 44887233

IUPAC2,4,6-trimethylpyridin-1-ium perchlorate
SMILESCc1cc(C)[nH+]c(C)c1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C8H11N.ClHO4/c1-6-4-7(2)9-8(3)5-6;2-1(3,4)5/h4-5H,1-3H3;(H,2,3,4,5)
InChIKeyMKVHXUHDKRVIAQ-UHFFFAOYSA-N
MW221.64 g/mol
LogP-3.33
Rot. Bonds

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

2,4,6-trimethylpyridin-1-ium perchlorate (PubChem CID 44887233) has the molecular formula C8H12ClNO4 and a molecular weight of 221.64 g/mol. Its IUPAC name is 2,4,6-trimethylpyridin-1-ium perchlorate.

Molecular Properties

Compound Name2,4,6-trimethylpyridin-1-ium perchlorate
PubChem CID44887233
Molecular FormulaC8H12ClNO4
Molecular Weight221.64 g/mol
Exact Mass221.05
IUPAC Name2,4,6-trimethylpyridin-1-ium perchlorate
SMILESCc1cc(C)[nH+]c(C)c1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C8H11N.ClHO4/c1-6-4-7(2)9-8(3)5-6;2-1(3,4)5/h4-5H,1-3H3;(H,2,3,4,5)
InChIKeyMKVHXUHDKRVIAQ-UHFFFAOYSA-N
XLogP-3.33
TPSA106.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.64
LogP ≤ 5-3.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethylpyridin-1-ium perchlorate?
The IUPAC name of 2,4,6-trimethylpyridin-1-ium perchlorate (CID 44887233) is 2,4,6-trimethylpyridin-1-ium perchlorate.
What is the SMILES notation for 2,4,6-trimethylpyridin-1-ium perchlorate?
The canonical SMILES for 2,4,6-trimethylpyridin-1-ium perchlorate is Cc1cc(C)[nH+]c(C)c1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 2,4,6-trimethylpyridin-1-ium perchlorate?
The InChIKey is MKVHXUHDKRVIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.ClHO4/c1-6-4-7(2)9-8(3)5-6;2-1(3,4)5/h4-5H,1-3H3;(H,2,3,4,5).
What are the key properties of 2,4,6-trimethylpyridin-1-ium perchlorate?
2,4,6-trimethylpyridin-1-ium perchlorate has a molecular weight of 221.64 g/mol, XLogP of -3.33, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethylpyridin-1-ium perchlorate is sourced from PubChem (CID 44887233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).