iodobenzene;4-methoxypyridine

C12H12INO — CID 142130779

IUPACiodobenzene;4-methoxypyridine
SMILESCOc1ccncc1.Ic1ccccc1
InChIInChI=1S/C6H5I.C6H7NO/c7-6-4-2-1-3-5-6;1-8-6-2-4-7-5-3-6/h1-5H;2-5H,1H3
InChIKeyJXLKPYOJDBDXCY-UHFFFAOYSA-N
MW313.14 g/mol
LogP3.38
Rot. Bonds1

About iodobenzene;4-methoxypyridine

iodobenzene;4-methoxypyridine (PubChem CID 142130779) has the molecular formula C12H12INO and a molecular weight of 313.14 g/mol. Its IUPAC name is iodobenzene;4-methoxypyridine.

Molecular Properties

Compound Nameiodobenzene;4-methoxypyridine
PubChem CID142130779
Molecular FormulaC12H12INO
Molecular Weight313.14 g/mol
Exact Mass313.00
IUPAC Nameiodobenzene;4-methoxypyridine
SMILESCOc1ccncc1.Ic1ccccc1
InChIInChI=1S/C6H5I.C6H7NO/c7-6-4-2-1-3-5-6;1-8-6-2-4-7-5-3-6/h1-5H;2-5H,1H3
InChIKeyJXLKPYOJDBDXCY-UHFFFAOYSA-N
XLogP3.38
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.14
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of iodobenzene;4-methoxypyridine?
The IUPAC name of iodobenzene;4-methoxypyridine (CID 142130779) is iodobenzene;4-methoxypyridine.
What is the SMILES notation for iodobenzene;4-methoxypyridine?
The canonical SMILES for iodobenzene;4-methoxypyridine is COc1ccncc1.Ic1ccccc1.
What is the InChIKey of iodobenzene;4-methoxypyridine?
The InChIKey is JXLKPYOJDBDXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5I.C6H7NO/c7-6-4-2-1-3-5-6;1-8-6-2-4-7-5-3-6/h1-5H;2-5H,1H3.
What are the key properties of iodobenzene;4-methoxypyridine?
iodobenzene;4-methoxypyridine has a molecular weight of 313.14 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iodobenzene;4-methoxypyridine is sourced from PubChem (CID 142130779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).