1-benzyl-6-phenylpyridin-1-ium-3-ol

C18H16NO+ — CID 135086398

IUPAC1-benzyl-6-phenylpyridin-1-ium-3-ol
SMILESOc1ccc(-c2ccccc2)[n+](Cc2ccccc2)c1
InChIInChI=1S/C18H15NO/c20-17-11-12-18(16-9-5-2-6-10-16)19(14-17)13-15-7-3-1-4-8-15/h1-12,14H,13H2/p+1
InChIKeyQSYJAJCUIFYENP-UHFFFAOYSA-O
MW262.33 g/mol
LogP3.39
Rot. Bonds3

About 1-benzyl-6-phenylpyridin-1-ium-3-ol

1-benzyl-6-phenylpyridin-1-ium-3-ol (PubChem CID 135086398) has the molecular formula C18H16NO+ and a molecular weight of 262.33 g/mol. Its IUPAC name is 1-benzyl-6-phenylpyridin-1-ium-3-ol.

Molecular Properties

Compound Name1-benzyl-6-phenylpyridin-1-ium-3-ol
PubChem CID135086398
Molecular FormulaC18H16NO+
Molecular Weight262.33 g/mol
Exact Mass262.12
IUPAC Name1-benzyl-6-phenylpyridin-1-ium-3-ol
SMILESOc1ccc(-c2ccccc2)[n+](Cc2ccccc2)c1
InChIInChI=1S/C18H15NO/c20-17-11-12-18(16-9-5-2-6-10-16)19(14-17)13-15-7-3-1-4-8-15/h1-12,14H,13H2/p+1
InChIKeyQSYJAJCUIFYENP-UHFFFAOYSA-O
XLogP3.39
TPSA24.11 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.39
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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Related Compounds

8-Hydroxyquinoline
CID 1923
4,4'-Dihydroxydiphenyl(2-pyridyl)methane
CID 69046
Pirmenol
CID 65502
3-Hydroxyquinoline
CID 11376
4-Isoquinolinol
CID 18750
5-Fluoro-8-quinolinol
CID 217907
3-Pyridinol, 5-benzyl-
CID 796726
NoName_714
CID 135489221
4-Methyl-8-hydroxyquinoline
CID 345169
Mls002693808
CID 251943
Alpha,alpha-diphenyl-2-pyridinemethanol
CID 223294
3-Methylquinolin-8-ol
CID 4332281

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-phenylpyridin-1-ium-3-ol?
The IUPAC name of 1-benzyl-6-phenylpyridin-1-ium-3-ol (CID 135086398) is 1-benzyl-6-phenylpyridin-1-ium-3-ol.
What is the SMILES notation for 1-benzyl-6-phenylpyridin-1-ium-3-ol?
The canonical SMILES for 1-benzyl-6-phenylpyridin-1-ium-3-ol is Oc1ccc(-c2ccccc2)[n+](Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-6-phenylpyridin-1-ium-3-ol?
The InChIKey is QSYJAJCUIFYENP-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H15NO/c20-17-11-12-18(16-9-5-2-6-10-16)19(14-17)13-15-7-3-1-4-8-15/h1-12,14H,13H2/p+1.
What are the key properties of 1-benzyl-6-phenylpyridin-1-ium-3-ol?
1-benzyl-6-phenylpyridin-1-ium-3-ol has a molecular weight of 262.33 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-phenylpyridin-1-ium-3-ol is sourced from PubChem (CID 135086398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).