pyridin-1-ium perchlorate

C5H6ClNO4 — CID 11105938

IUPACpyridin-1-ium perchlorate
SMILES[O-][Cl+3]([O-])([O-])[O-].c1cc[nH+]cc1
InChIInChI=1S/C5H5N.ClHO4/c1-2-4-6-5-3-1;2-1(3,4)5/h1-5H;(H,2,3,4,5)
InChIKeyJLKXXDAJGKKSNK-UHFFFAOYSA-N
MW179.56 g/mol
LogP-4.26
Rot. Bonds

About pyridin-1-ium perchlorate

pyridin-1-ium perchlorate (PubChem CID 11105938) has the molecular formula C5H6ClNO4 and a molecular weight of 179.56 g/mol. Its IUPAC name is pyridin-1-ium perchlorate.

Molecular Properties

Compound Namepyridin-1-ium perchlorate
PubChem CID11105938
Molecular FormulaC5H6ClNO4
Molecular Weight179.56 g/mol
Exact Mass179.00
IUPAC Namepyridin-1-ium perchlorate
SMILES[O-][Cl+3]([O-])([O-])[O-].c1cc[nH+]cc1
InChIInChI=1S/C5H5N.ClHO4/c1-2-4-6-5-3-1;2-1(3,4)5/h1-5H;(H,2,3,4,5)
InChIKeyJLKXXDAJGKKSNK-UHFFFAOYSA-N
XLogP-4.26
TPSA106.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.56
LogP ≤ 5-4.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 18413708
CID 18413708
pyridin-1-ium dibromide
CID 15469340
pyridin-1-ium;dibromide;hydrobromide
CID 23338098
pyridin-1-ium;chloride;iodide
CID 73169683
palladium(2+);bis(pyridin-1-ium);dinitrite
CID 170853525
calcium;dioxido(oxo)phosphanium;pyridin-1-ium;hydroxide
CID 157441980
potassium;phosphenic acid;pyridin-1-ium;hydroxide
CID 140685955
potassium;pyridin-1-ium;acetate;hydroxide
CID 140686110
pyridin-1-ium;sulfuric acid;chloride
CID 174872617
pyridin-1-ium;tetradecane;chloride
CID 158543271
niobium;oxygen(2-);pyridine;bis(pyridin-1-ium);tetrachloride
CID 139058497
2-chloro-2,2-difluoroacetate;pyridin-1-ium
CID 18513128

Frequently Asked Questions

What is the IUPAC name of pyridin-1-ium perchlorate?
The IUPAC name of pyridin-1-ium perchlorate (CID 11105938) is pyridin-1-ium perchlorate.
What is the SMILES notation for pyridin-1-ium perchlorate?
The canonical SMILES for pyridin-1-ium perchlorate is [O-][Cl+3]([O-])([O-])[O-].c1cc[nH+]cc1.
What is the InChIKey of pyridin-1-ium perchlorate?
The InChIKey is JLKXXDAJGKKSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.ClHO4/c1-2-4-6-5-3-1;2-1(3,4)5/h1-5H;(H,2,3,4,5).
What are the key properties of pyridin-1-ium perchlorate?
pyridin-1-ium perchlorate has a molecular weight of 179.56 g/mol, XLogP of -4.26, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-1-ium perchlorate is sourced from PubChem (CID 11105938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).