4-(2-methylphenyl)pyridine;hydroiodide

C12H12IN — CID 175234022

IUPAC4-(2-methylphenyl)pyridine;hydroiodide
SMILESCc1ccccc1-c1ccncc1.I
InChIInChI=1S/C12H11N.HI/c1-10-4-2-3-5-12(10)11-6-8-13-9-7-11;/h2-9H,1H3;1H
InChIKeyCLKJCYIHQVTGAV-UHFFFAOYSA-N
MW297.14 g/mol
LogP3.68
Rot. Bonds1

About 4-(2-methylphenyl)pyridine;hydroiodide

4-(2-methylphenyl)pyridine;hydroiodide (PubChem CID 175234022) has the molecular formula C12H12IN and a molecular weight of 297.14 g/mol. Its IUPAC name is 4-(2-methylphenyl)pyridine;hydroiodide.

Molecular Properties

Compound Name4-(2-methylphenyl)pyridine;hydroiodide
PubChem CID175234022
Molecular FormulaC12H12IN
Molecular Weight297.14 g/mol
Exact Mass297.00
IUPAC Name4-(2-methylphenyl)pyridine;hydroiodide
SMILESCc1ccccc1-c1ccncc1.I
InChIInChI=1S/C12H11N.HI/c1-10-4-2-3-5-12(10)11-6-8-13-9-7-11;/h2-9H,1H3;1H
InChIKeyCLKJCYIHQVTGAV-UHFFFAOYSA-N
XLogP3.68
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(2-methylphenyl)pyridine;hydroiodide 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

3-(2-methylphenyl)pyridine
CID 4133191
N,N,2-trimethyl-6-pyridin-4-ylaniline
CID 134481147
1-methyl-2-[2-[4-(2-methylphenyl)phenyl]phenyl]benzene
CID 58892394
1-methyl-2-[4-(4-phenylphenyl)phenyl]benzene
CID 58389745
1-methyl-2-(4-phenylphenyl)benzene
CID 144588078
1-methyl-2-[4-(2-phenylphenyl)phenyl]benzene
CID 58390061
5-(2-methylphenyl)pyrimidine
CID 4188102
3-methyl-4-(2-methylphenyl)pyridine
CID 130153052
5-[4-(2-methylphenyl)phenyl]pyrimidine
CID 146397515
1,2-dimethyl-6-(2-methylphenyl)-4-pyridin-4-ylpyridin-1-ium
CID 169055448
ethane;3-(2-methylphenyl)pyridine;bis(3-(4-methylphenyl)pyridine);4-(2-methylphenyl)pyridine;4-(3-methylphenyl)pyridine;4-(4-methylphenyl)pyridine
CID 159010834
1-methyl-2-(2-methylphenyl)-4-pyridin-4-ylpyridin-1-ium
CID 58421065

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)pyridine;hydroiodide?
The IUPAC name of 4-(2-methylphenyl)pyridine;hydroiodide (CID 175234022) is 4-(2-methylphenyl)pyridine;hydroiodide.
What is the SMILES notation for 4-(2-methylphenyl)pyridine;hydroiodide?
The canonical SMILES for 4-(2-methylphenyl)pyridine;hydroiodide is Cc1ccccc1-c1ccncc1.I.
What is the InChIKey of 4-(2-methylphenyl)pyridine;hydroiodide?
The InChIKey is CLKJCYIHQVTGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N.HI/c1-10-4-2-3-5-12(10)11-6-8-13-9-7-11;/h2-9H,1H3;1H.
What are the key properties of 4-(2-methylphenyl)pyridine;hydroiodide?
4-(2-methylphenyl)pyridine;hydroiodide has a molecular weight of 297.14 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)pyridine;hydroiodide is sourced from PubChem (CID 175234022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).