1-phenylpyridin-1-ium perchlorate

C11H10ClNO4 — CID 44786302

IUPAC1-phenylpyridin-1-ium perchlorate
SMILES[O-][Cl+3]([O-])([O-])[O-].c1ccc(-[n+]2ccccc2)cc1
InChIInChI=1S/C11H10N.ClHO4/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;2-1(3,4)5/h1-10H;(H,2,3,4,5)/q+1;/p-1
InChIKeyPUFVQYQJGJRCMF-UHFFFAOYSA-M
MW255.66 g/mol
LogP-2.79
Rot. Bonds1

About 1-phenylpyridin-1-ium perchlorate

1-phenylpyridin-1-ium perchlorate (PubChem CID 44786302) has the molecular formula C11H10ClNO4 and a molecular weight of 255.66 g/mol. Its IUPAC name is 1-phenylpyridin-1-ium perchlorate.

Molecular Properties

Compound Name1-phenylpyridin-1-ium perchlorate
PubChem CID44786302
Molecular FormulaC11H10ClNO4
Molecular Weight255.66 g/mol
Exact Mass255.03
IUPAC Name1-phenylpyridin-1-ium perchlorate
SMILES[O-][Cl+3]([O-])([O-])[O-].c1ccc(-[n+]2ccccc2)cc1
InChIInChI=1S/C11H10N.ClHO4/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;2-1(3,4)5/h1-10H;(H,2,3,4,5)/q+1;/p-1
InChIKeyPUFVQYQJGJRCMF-UHFFFAOYSA-M
XLogP-2.79
TPSA96.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.66
LogP ≤ 5-2.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-phenylpyridin-1-ium perchlorate?
The IUPAC name of 1-phenylpyridin-1-ium perchlorate (CID 44786302) is 1-phenylpyridin-1-ium perchlorate.
What is the SMILES notation for 1-phenylpyridin-1-ium perchlorate?
The canonical SMILES for 1-phenylpyridin-1-ium perchlorate is [O-][Cl+3]([O-])([O-])[O-].c1ccc(-[n+]2ccccc2)cc1.
What is the InChIKey of 1-phenylpyridin-1-ium perchlorate?
The InChIKey is PUFVQYQJGJRCMF-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H10N.ClHO4/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;2-1(3,4)5/h1-10H;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of 1-phenylpyridin-1-ium perchlorate?
1-phenylpyridin-1-ium perchlorate has a molecular weight of 255.66 g/mol, XLogP of -2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylpyridin-1-ium perchlorate is sourced from PubChem (CID 44786302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).