3-ethoxy-2-iodo-5-pyridin-3-ylpyridine

C12H11IN2O — CID 86036599

IUPAC3-ethoxy-2-iodo-5-pyridin-3-ylpyridine
SMILESCCOc1cc(-c2cccnc2)cnc1I
InChIInChI=1S/C12H11IN2O/c1-2-16-11-6-10(8-15-12(11)13)9-4-3-5-14-7-9/h3-8H,2H2,1H3
InChIKeyYUYDKROGEQOKNL-UHFFFAOYSA-N
MW326.14 g/mol
LogP3.15
Rot. Bonds3

About 3-ethoxy-2-iodo-5-pyridin-3-ylpyridine

3-ethoxy-2-iodo-5-pyridin-3-ylpyridine (PubChem CID 86036599) has the molecular formula C12H11IN2O and a molecular weight of 326.14 g/mol. Its IUPAC name is 3-ethoxy-2-iodo-5-pyridin-3-ylpyridine.

Molecular Properties

Compound Name3-ethoxy-2-iodo-5-pyridin-3-ylpyridine
PubChem CID86036599
Molecular FormulaC12H11IN2O
Molecular Weight326.14 g/mol
Exact Mass325.99
IUPAC Name3-ethoxy-2-iodo-5-pyridin-3-ylpyridine
SMILESCCOc1cc(-c2cccnc2)cnc1I
InChIInChI=1S/C12H11IN2O/c1-2-16-11-6-10(8-15-12(11)13)9-4-3-5-14-7-9/h3-8H,2H2,1H3
InChIKeyYUYDKROGEQOKNL-UHFFFAOYSA-N
XLogP3.15
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.14
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-iodo-5-pyridin-3-ylpyridine?
The IUPAC name of 3-ethoxy-2-iodo-5-pyridin-3-ylpyridine (CID 86036599) is 3-ethoxy-2-iodo-5-pyridin-3-ylpyridine.
What is the SMILES notation for 3-ethoxy-2-iodo-5-pyridin-3-ylpyridine?
The canonical SMILES for 3-ethoxy-2-iodo-5-pyridin-3-ylpyridine is CCOc1cc(-c2cccnc2)cnc1I.
What is the InChIKey of 3-ethoxy-2-iodo-5-pyridin-3-ylpyridine?
The InChIKey is YUYDKROGEQOKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11IN2O/c1-2-16-11-6-10(8-15-12(11)13)9-4-3-5-14-7-9/h3-8H,2H2,1H3.
What are the key properties of 3-ethoxy-2-iodo-5-pyridin-3-ylpyridine?
3-ethoxy-2-iodo-5-pyridin-3-ylpyridine has a molecular weight of 326.14 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-iodo-5-pyridin-3-ylpyridine is sourced from PubChem (CID 86036599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).