1-methyl-5-phenylpyridin-1-ium-3-ol

C12H12NO+ — CID 3742067

IUPAC1-methyl-5-phenylpyridin-1-ium-3-ol
SMILESC[n+]1cc(O)cc(-c2ccccc2)c1
InChIInChI=1S/C12H11NO/c1-13-8-11(7-12(14)9-13)10-5-3-2-4-6-10/h2-9H,1H3/p+1
InChIKeyZLROWTIVIOSTGX-UHFFFAOYSA-O
MW186.23 g/mol
LogP1.88
Rot. Bonds1

About 1-methyl-5-phenylpyridin-1-ium-3-ol

1-methyl-5-phenylpyridin-1-ium-3-ol (PubChem CID 3742067) has the molecular formula C12H12NO+ and a molecular weight of 186.23 g/mol. Its IUPAC name is 1-methyl-5-phenylpyridin-1-ium-3-ol.

Molecular Properties

Compound Name1-methyl-5-phenylpyridin-1-ium-3-ol
PubChem CID3742067
Molecular FormulaC12H12NO+
Molecular Weight186.23 g/mol
Exact Mass186.09
IUPAC Name1-methyl-5-phenylpyridin-1-ium-3-ol
SMILESC[n+]1cc(O)cc(-c2ccccc2)c1
InChIInChI=1S/C12H11NO/c1-13-8-11(7-12(14)9-13)10-5-3-2-4-6-10/h2-9H,1H3/p+1
InChIKeyZLROWTIVIOSTGX-UHFFFAOYSA-O
XLogP1.88
TPSA24.11 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 51.88
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

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benzene;1,1'-biphenyl;phenol
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benzene;1,1'-biphenyl;ethane
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benzene;tris(1,1'-biphenyl)
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5-phenylpyridin-3-ol
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bis(1,1'-biphenyl);ethane;phenol;propane
CID 159973913
3-(3,5-diphenylphenyl)-5-(N-phenylanilino)phenol
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1,1'-biphenyl;naphthalene;phenol
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-phenylpyridin-1-ium-3-ol?
The IUPAC name of 1-methyl-5-phenylpyridin-1-ium-3-ol (CID 3742067) is 1-methyl-5-phenylpyridin-1-ium-3-ol.
What is the SMILES notation for 1-methyl-5-phenylpyridin-1-ium-3-ol?
The canonical SMILES for 1-methyl-5-phenylpyridin-1-ium-3-ol is C[n+]1cc(O)cc(-c2ccccc2)c1.
What is the InChIKey of 1-methyl-5-phenylpyridin-1-ium-3-ol?
The InChIKey is ZLROWTIVIOSTGX-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H11NO/c1-13-8-11(7-12(14)9-13)10-5-3-2-4-6-10/h2-9H,1H3/p+1.
What are the key properties of 1-methyl-5-phenylpyridin-1-ium-3-ol?
1-methyl-5-phenylpyridin-1-ium-3-ol has a molecular weight of 186.23 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-phenylpyridin-1-ium-3-ol is sourced from PubChem (CID 3742067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).