4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol;hydroiodide

C14H15INO+ — CID 126960791

IUPAC4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol;hydroiodide
SMILESC[n+]1ccccc1/C=C/c1ccc(O)cc1.I
InChIInChI=1S/C14H13NO.HI/c1-15-11-3-2-4-13(15)8-5-12-6-9-14(16)10-7-12;/h2-11H,1H3;1H/p+1
InChIKeyMINKVOZEHDBAEU-UHFFFAOYSA-O
MW340.18 g/mol
LogP3.01
Rot. Bonds2

About 4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol;hydroiodide

4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol;hydroiodide (PubChem CID 126960791) has the molecular formula C14H15INO+ and a molecular weight of 340.18 g/mol. Its IUPAC name is 4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol;hydroiodide.

Molecular Properties

Compound Name4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol;hydroiodide
PubChem CID126960791
Molecular FormulaC14H15INO+
Molecular Weight340.18 g/mol
Exact Mass340.02
IUPAC Name4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol;hydroiodide
SMILESC[n+]1ccccc1/C=C/c1ccc(O)cc1.I
InChIInChI=1S/C14H13NO.HI/c1-15-11-3-2-4-13(15)8-5-12-6-9-14(16)10-7-12;/h2-11H,1H3;1H/p+1
InChIKeyMINKVOZEHDBAEU-UHFFFAOYSA-O
XLogP3.01
TPSA24.11 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.18
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol;hydroiodide?
The IUPAC name of 4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol;hydroiodide (CID 126960791) is 4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol;hydroiodide.
What is the SMILES notation for 4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol;hydroiodide?
The canonical SMILES for 4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol;hydroiodide is C[n+]1ccccc1/C=C/c1ccc(O)cc1.I.
What is the InChIKey of 4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol;hydroiodide?
The InChIKey is MINKVOZEHDBAEU-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H13NO.HI/c1-15-11-3-2-4-13(15)8-5-12-6-9-14(16)10-7-12;/h2-11H,1H3;1H/p+1.
What are the key properties of 4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol;hydroiodide?
4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol;hydroiodide has a molecular weight of 340.18 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol;hydroiodide is sourced from PubChem (CID 126960791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).