1-phenylpyridin-1-ium-3-ol chloride

C11H10ClNO — CID 27569

IUPAC1-phenylpyridin-1-ium-3-ol chloride
SMILESOc1ccc[n+](-c2ccccc2)c1.[Cl-]
InChIInChI=1S/C11H9NO.ClH/c13-11-7-4-8-12(9-11)10-5-2-1-3-6-10;/h1-9H;1H
InChIKeyBQIMDYLQFIEYJQ-UHFFFAOYSA-N
MW207.66 g/mol
LogP-1.33
Rot. Bonds1

About 1-phenylpyridin-1-ium-3-ol chloride

1-phenylpyridin-1-ium-3-ol chloride (PubChem CID 27569) has the molecular formula C11H10ClNO and a molecular weight of 207.66 g/mol. Its IUPAC name is 1-phenylpyridin-1-ium-3-ol chloride.

Molecular Properties

Compound Name1-phenylpyridin-1-ium-3-ol chloride
PubChem CID27569
Molecular FormulaC11H10ClNO
Molecular Weight207.66 g/mol
Exact Mass207.05
IUPAC Name1-phenylpyridin-1-ium-3-ol chloride
SMILESOc1ccc[n+](-c2ccccc2)c1.[Cl-]
InChIInChI=1S/C11H9NO.ClH/c13-11-7-4-8-12(9-11)10-5-2-1-3-6-10;/h1-9H;1H
InChIKeyBQIMDYLQFIEYJQ-UHFFFAOYSA-N
XLogP-1.33
TPSA24.11 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 5-1.33
H-Bond Donors ≤ 51
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-3-ol chloride?
The IUPAC name of 1-phenylpyridin-1-ium-3-ol chloride (CID 27569) is 1-phenylpyridin-1-ium-3-ol chloride.
What is the SMILES notation for 1-phenylpyridin-1-ium-3-ol chloride?
The canonical SMILES for 1-phenylpyridin-1-ium-3-ol chloride is Oc1ccc[n+](-c2ccccc2)c1.[Cl-].
What is the InChIKey of 1-phenylpyridin-1-ium-3-ol chloride?
The InChIKey is BQIMDYLQFIEYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO.ClH/c13-11-7-4-8-12(9-11)10-5-2-1-3-6-10;/h1-9H;1H.
What are the key properties of 1-phenylpyridin-1-ium-3-ol chloride?
1-phenylpyridin-1-ium-3-ol chloride has a molecular weight of 207.66 g/mol, XLogP of -1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylpyridin-1-ium-3-ol chloride is sourced from PubChem (CID 27569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).