1-phenylpyridin-1-ium-2-ol

C11H10NO+ — CID 146164768

IUPAC1-phenylpyridin-1-ium-2-ol
SMILESOc1cccc[n+]1-c1ccccc1
InChIInChI=1S/C11H9NO/c13-11-8-4-5-9-12(11)10-6-2-1-3-7-10/h1-9H/p+1
InChIKeyHQWNTNFZAGSJAX-UHFFFAOYSA-O
MW172.21 g/mol
LogP1.67
Rot. Bonds1

About 1-phenylpyridin-1-ium-2-ol

1-phenylpyridin-1-ium-2-ol (PubChem CID 146164768) has the molecular formula C11H10NO+ and a molecular weight of 172.21 g/mol. Its IUPAC name is 1-phenylpyridin-1-ium-2-ol.

Molecular Properties

Compound Name1-phenylpyridin-1-ium-2-ol
PubChem CID146164768
Molecular FormulaC11H10NO+
Molecular Weight172.21 g/mol
Exact Mass172.08
IUPAC Name1-phenylpyridin-1-ium-2-ol
SMILESOc1cccc[n+]1-c1ccccc1
InChIInChI=1S/C11H9NO/c13-11-8-4-5-9-12(11)10-6-2-1-3-7-10/h1-9H/p+1
InChIKeyHQWNTNFZAGSJAX-UHFFFAOYSA-O
XLogP1.67
TPSA24.11 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 51.67
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-2-ol?
The IUPAC name of 1-phenylpyridin-1-ium-2-ol (CID 146164768) is 1-phenylpyridin-1-ium-2-ol.
What is the SMILES notation for 1-phenylpyridin-1-ium-2-ol?
The canonical SMILES for 1-phenylpyridin-1-ium-2-ol is Oc1cccc[n+]1-c1ccccc1.
What is the InChIKey of 1-phenylpyridin-1-ium-2-ol?
The InChIKey is HQWNTNFZAGSJAX-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H9NO/c13-11-8-4-5-9-12(11)10-6-2-1-3-7-10/h1-9H/p+1.
What are the key properties of 1-phenylpyridin-1-ium-2-ol?
1-phenylpyridin-1-ium-2-ol has a molecular weight of 172.21 g/mol, XLogP of 1.67, 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-2-ol is sourced from PubChem (CID 146164768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).