4-[2-(1-methyl-2H-pyridin-4-yl)ethenyl]phenol iodide

C14H15INO- — CID 57357705

IUPAC4-[2-(1-methyl-2H-pyridin-4-yl)ethenyl]phenol iodide
SMILESCN1C=CC(C=Cc2ccc(O)cc2)=CC1.[I-]
InChIInChI=1S/C14H15NO.HI/c1-15-10-8-13(9-11-15)3-2-12-4-6-14(16)7-5-12;/h2-10,16H,11H2,1H3;1H/p-1
InChIKeyUFFJGZVPFKRVPX-UHFFFAOYSA-M
MW340.18 g/mol
LogP-0.21
Rot. Bonds2

About 4-[2-(1-methyl-2H-pyridin-4-yl)ethenyl]phenol iodide

4-[2-(1-methyl-2H-pyridin-4-yl)ethenyl]phenol iodide (PubChem CID 57357705) has the molecular formula C14H15INO- and a molecular weight of 340.18 g/mol. Its IUPAC name is 4-[2-(1-methyl-2H-pyridin-4-yl)ethenyl]phenol iodide.

Molecular Properties

Compound Name4-[2-(1-methyl-2H-pyridin-4-yl)ethenyl]phenol iodide
PubChem CID57357705
Molecular FormulaC14H15INO-
Molecular Weight340.18 g/mol
Exact Mass340.02
IUPAC Name4-[2-(1-methyl-2H-pyridin-4-yl)ethenyl]phenol iodide
SMILESCN1C=CC(C=Cc2ccc(O)cc2)=CC1.[I-]
InChIInChI=1S/C14H15NO.HI/c1-15-10-8-13(9-11-15)3-2-12-4-6-14(16)7-5-12;/h2-10,16H,11H2,1H3;1H/p-1
InChIKeyUFFJGZVPFKRVPX-UHFFFAOYSA-M
XLogP-0.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.18
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[2-(1-methyl-2H-pyridin-4-yl)ethenyl]phenol iodide with MolForge

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

Launch Full Analysis

Related Compounds

4-[(E)-2-(1-methyl-2H-pyridin-4-yl)ethenyl]-N,N-dipropylaniline
CID 141046807
1-methyl-4-[(E)-prop-1-enyl]-2H-pyridine
CID 142996245
1-methyl-4-[2-[1-methyl-5-[2-(1-methyl-2H-pyridin-4-yl)ethenyl]pyrrol-2-yl]ethenyl]-2H-pyridine;bis(trifluoromethanesulfonic acid)
CID 162535351
4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]ethenyl]phenol;triiodovanadium
CID 157160802
4-[(E)-2-(4-chlorophenyl)ethenyl]phenol
CID 5376643
4-[(E)-2-(4-propan-2-ylphenyl)ethenyl]phenol
CID 122603280
(Z)-[(Z)-3-aminoprop-2-enylidene]-methyl-[1-[3-[4-[4-[(E)-2-(1-methyl-2H-pyridin-4-yl)ethenyl]phenyl]piperazin-1-yl]-3-oxopropyl]sulfanylethenyl]azanium
CID 89324156
4-[2-(1-docosyl-2H-pyridin-4-yl)ethenyl]-N,N-dimethylaniline;hydrobromide
CID 175335240
4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenol
CID 52942315
4-(2-phenylethenyl)phenol
CID 157400568
4-[(Z)-2-(4-aminophenyl)ethenyl]phenol
CID 25021233
4-[2-[6-[2-(4-hydroxycyclohexa-1,5-dien-1-yl)ethenyl]pyrimidin-4-yl]ethenyl]phenol
CID 136600350

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-methyl-2H-pyridin-4-yl)ethenyl]phenol iodide?
The IUPAC name of 4-[2-(1-methyl-2H-pyridin-4-yl)ethenyl]phenol iodide (CID 57357705) is 4-[2-(1-methyl-2H-pyridin-4-yl)ethenyl]phenol iodide.
What is the SMILES notation for 4-[2-(1-methyl-2H-pyridin-4-yl)ethenyl]phenol iodide?
The canonical SMILES for 4-[2-(1-methyl-2H-pyridin-4-yl)ethenyl]phenol iodide is CN1C=CC(C=Cc2ccc(O)cc2)=CC1.[I-].
What is the InChIKey of 4-[2-(1-methyl-2H-pyridin-4-yl)ethenyl]phenol iodide?
The InChIKey is UFFJGZVPFKRVPX-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H15NO.HI/c1-15-10-8-13(9-11-15)3-2-12-4-6-14(16)7-5-12;/h2-10,16H,11H2,1H3;1H/p-1.
What are the key properties of 4-[2-(1-methyl-2H-pyridin-4-yl)ethenyl]phenol iodide?
4-[2-(1-methyl-2H-pyridin-4-yl)ethenyl]phenol iodide has a molecular weight of 340.18 g/mol, XLogP of -0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-methyl-2H-pyridin-4-yl)ethenyl]phenol iodide is sourced from PubChem (CID 57357705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).