2-(3,4-dimethoxyphenyl)-4-iodopyridine

C13H12INO2 — CID 138723153

IUPAC2-(3,4-dimethoxyphenyl)-4-iodopyridine
SMILESCOc1ccc(-c2cc(I)ccn2)cc1OC
InChIInChI=1S/C13H12INO2/c1-16-12-4-3-9(7-13(12)17-2)11-8-10(14)5-6-15-11/h3-8H,1-2H3
InChIKeyWIRZWSDSSOUFOQ-UHFFFAOYSA-N
MW341.15 g/mol
LogP3.37
Rot. Bonds3

About 2-(3,4-dimethoxyphenyl)-4-iodopyridine

2-(3,4-dimethoxyphenyl)-4-iodopyridine (PubChem CID 138723153) has the molecular formula C13H12INO2 and a molecular weight of 341.15 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-4-iodopyridine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-4-iodopyridine
PubChem CID138723153
Molecular FormulaC13H12INO2
Molecular Weight341.15 g/mol
Exact Mass340.99
IUPAC Name2-(3,4-dimethoxyphenyl)-4-iodopyridine
SMILESCOc1ccc(-c2cc(I)ccn2)cc1OC
InChIInChI=1S/C13H12INO2/c1-16-12-4-3-9(7-13(12)17-2)11-8-10(14)5-6-15-11/h3-8H,1-2H3
InChIKeyWIRZWSDSSOUFOQ-UHFFFAOYSA-N
XLogP3.37
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.15
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-(3,4-dimethoxyphenyl)pyridine
CID 102825072
4-(3,4-dimethoxyphenyl)-2-[4-(3,4-dimethoxyphenyl)-2-pyridinyl]pyridine
CID 86054377
4-(3,4-dimethoxyphenyl)-2-methoxy-6-(4-methylphenyl)pyrimidine
CID 2854304
2-(3,4-dimethoxyphenyl)-1H-imidazole;dihydrochloride
CID 139785125
4-(3,4-dimethoxyphenyl)pyridine-2-carboxylic acid
CID 53223762
2-(3,4-dimethoxyphenyl)-5-iodo-1,3,4-oxadiazole
CID 114771479
N'-[4-(3,4-dimethoxyphenyl)pyrimidin-2-yl]ethane-1,2-diamine
CID 103278920
6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidine
CID 68916896
5-(3,4-dimethoxyphenyl)-1H-pyrimidine-2-thione
CID 11482037
2-(3,4-dimethoxyphenyl)-1H-pyrimidin-6-one
CID 43654596
2-(4-methoxy-3-methylsulfonylphenyl)-4-methylpyridine
CID 123440790
2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(4-methylphenyl)-1,3-thiazole
CID 46339235

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-4-iodopyridine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-4-iodopyridine (CID 138723153) is 2-(3,4-dimethoxyphenyl)-4-iodopyridine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-4-iodopyridine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-4-iodopyridine is COc1ccc(-c2cc(I)ccn2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-4-iodopyridine?
The InChIKey is WIRZWSDSSOUFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12INO2/c1-16-12-4-3-9(7-13(12)17-2)11-8-10(14)5-6-15-11/h3-8H,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-4-iodopyridine?
2-(3,4-dimethoxyphenyl)-4-iodopyridine has a molecular weight of 341.15 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-4-iodopyridine is sourced from PubChem (CID 138723153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).