2-(2,4,6-trimethylphenyl)iodanuidylpyridine

C14H15IN- — CID 156707211

IUPAC2-(2,4,6-trimethylphenyl)iodanuidylpyridine
SMILESCc1cc(C)c([I-]c2ccccn2)c(C)c1
InChIInChI=1S/C14H15IN/c1-10-8-11(2)14(12(3)9-10)15-13-6-4-5-7-16-13/h4-9H,1-3H3/q-1
InChIKeyWKSULBNSDJJMRX-UHFFFAOYSA-N
MW324.19 g/mol
LogP0.14
Rot. Bonds2

About 2-(2,4,6-trimethylphenyl)iodanuidylpyridine

2-(2,4,6-trimethylphenyl)iodanuidylpyridine (PubChem CID 156707211) has the molecular formula C14H15IN- and a molecular weight of 324.19 g/mol. Its IUPAC name is 2-(2,4,6-trimethylphenyl)iodanuidylpyridine.

Molecular Properties

Compound Name2-(2,4,6-trimethylphenyl)iodanuidylpyridine
PubChem CID156707211
Molecular FormulaC14H15IN-
Molecular Weight324.19 g/mol
Exact Mass324.03
IUPAC Name2-(2,4,6-trimethylphenyl)iodanuidylpyridine
SMILESCc1cc(C)c([I-]c2ccccn2)c(C)c1
InChIInChI=1S/C14H15IN/c1-10-8-11(2)14(12(3)9-10)15-13-6-4-5-7-16-13/h4-9H,1-3H3/q-1
InChIKeyWKSULBNSDJJMRX-UHFFFAOYSA-N
XLogP0.14
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-pyridin-2-ylsulfinyl-1-(2,4,6-trimethylphenyl)ethanone
CID 58259864
2,4,6-trimethyl-1-pyridin-2-ylpyridin-1-ium
CID 3782184
pyridin-2-yl-(2,4,6-trimethylphenyl)methanol
CID 154106044
1-N,1-N-dipyridin-2-yl-4-N,4-N-bis(2,4,6-trimethylphenyl)benzene-1,4-diamine
CID 177074307
2-(2,4-dimethylphenyl)pyridine;ethane
CID 143636710
2-[3-[3-(3,5-dipyridin-2-ylphenyl)-5-methylphenyl]-5-pyridin-2-ylphenyl]pyridine
CID 58556429
2-[(2-hydroxy-3,5-dimethylphenyl)-pyridin-2-ylmethyl]-4,6-dimethylphenol
CID 23600058
2-pyridin-2-ylethyl-bis(2,4,6-trimethylphenyl)phosphane
CID 139101300
6,8-dimethyl-1-pyridin-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 3651174
2-(2,5-dimethyl-4-pyridin-2-ylphenyl)pyridine
CID 118652406
4,6-dimethyl-2-pyridin-2-yl-1,3-benzothiazole
CID 57387521
(1R,2S)-2-methylsulfanyl-2-pyridin-2-ylsulfanyl-1-(2,4,6-trimethylphenyl)ethanol
CID 134929663

Frequently Asked Questions

What is the IUPAC name of 2-(2,4,6-trimethylphenyl)iodanuidylpyridine?
The IUPAC name of 2-(2,4,6-trimethylphenyl)iodanuidylpyridine (CID 156707211) is 2-(2,4,6-trimethylphenyl)iodanuidylpyridine.
What is the SMILES notation for 2-(2,4,6-trimethylphenyl)iodanuidylpyridine?
The canonical SMILES for 2-(2,4,6-trimethylphenyl)iodanuidylpyridine is Cc1cc(C)c([I-]c2ccccn2)c(C)c1.
What is the InChIKey of 2-(2,4,6-trimethylphenyl)iodanuidylpyridine?
The InChIKey is WKSULBNSDJJMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15IN/c1-10-8-11(2)14(12(3)9-10)15-13-6-4-5-7-16-13/h4-9H,1-3H3/q-1.
What are the key properties of 2-(2,4,6-trimethylphenyl)iodanuidylpyridine?
2-(2,4,6-trimethylphenyl)iodanuidylpyridine has a molecular weight of 324.19 g/mol, XLogP of 0.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,6-trimethylphenyl)iodanuidylpyridine is sourced from PubChem (CID 156707211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).