1-phenylpyridin-1-ium hydroxide

C11H11NO — CID 67296356

IUPAC1-phenylpyridin-1-ium hydroxide
SMILES[OH-].c1ccc(-[n+]2ccccc2)cc1
InChIInChI=1S/C11H10N.H2O/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;/h1-10H;1H2/q+1;/p-1
InChIKeyFHEGAPVPWAVCOB-UHFFFAOYSA-M
MW173.22 g/mol
LogP1.79
Rot. Bonds1

About 1-phenylpyridin-1-ium hydroxide

1-phenylpyridin-1-ium hydroxide (PubChem CID 67296356) has the molecular formula C11H11NO and a molecular weight of 173.22 g/mol. Its IUPAC name is 1-phenylpyridin-1-ium hydroxide.

Molecular Properties

Compound Name1-phenylpyridin-1-ium hydroxide
PubChem CID67296356
Molecular FormulaC11H11NO
Molecular Weight173.22 g/mol
Exact Mass173.08
IUPAC Name1-phenylpyridin-1-ium hydroxide
SMILES[OH-].c1ccc(-[n+]2ccccc2)cc1
InChIInChI=1S/C11H10N.H2O/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;/h1-10H;1H2/q+1;/p-1
InChIKeyFHEGAPVPWAVCOB-UHFFFAOYSA-M
XLogP1.79
TPSA33.88 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 hydroxide?
The IUPAC name of 1-phenylpyridin-1-ium hydroxide (CID 67296356) is 1-phenylpyridin-1-ium hydroxide.
What is the SMILES notation for 1-phenylpyridin-1-ium hydroxide?
The canonical SMILES for 1-phenylpyridin-1-ium hydroxide is [OH-].c1ccc(-[n+]2ccccc2)cc1.
What is the InChIKey of 1-phenylpyridin-1-ium hydroxide?
The InChIKey is FHEGAPVPWAVCOB-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H10N.H2O/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;/h1-10H;1H2/q+1;/p-1.
What are the key properties of 1-phenylpyridin-1-ium hydroxide?
1-phenylpyridin-1-ium hydroxide has a molecular weight of 173.22 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylpyridin-1-ium hydroxide is sourced from PubChem (CID 67296356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).