2-[(E)-2-(6-iodo-1,3-benzodioxol-5-yl)ethenyl]pyridine

C14H10INO2 — CID 12026563

IUPAC2-[(E)-2-(6-iodo-1,3-benzodioxol-5-yl)ethenyl]pyridine
SMILESIc1cc2c(cc1/C=C/c1ccccn1)OCO2
InChIInChI=1S/C14H10INO2/c15-12-8-14-13(17-9-18-14)7-10(12)4-5-11-3-1-2-6-16-11/h1-8H,9H2/b5-4+
InChIKeyZYAQQFUYJQJLAP-SNAWJCMRSA-N
MW351.14 g/mol
LogP3.59
Rot. Bonds2

About 2-[(E)-2-(6-iodo-1,3-benzodioxol-5-yl)ethenyl]pyridine

2-[(E)-2-(6-iodo-1,3-benzodioxol-5-yl)ethenyl]pyridine (PubChem CID 12026563) has the molecular formula C14H10INO2 and a molecular weight of 351.14 g/mol. Its IUPAC name is 2-[(E)-2-(6-iodo-1,3-benzodioxol-5-yl)ethenyl]pyridine.

Molecular Properties

Compound Name2-[(E)-2-(6-iodo-1,3-benzodioxol-5-yl)ethenyl]pyridine
PubChem CID12026563
Molecular FormulaC14H10INO2
Molecular Weight351.14 g/mol
Exact Mass350.98
IUPAC Name2-[(E)-2-(6-iodo-1,3-benzodioxol-5-yl)ethenyl]pyridine
SMILESIc1cc2c(cc1/C=C/c1ccccn1)OCO2
InChIInChI=1S/C14H10INO2/c15-12-8-14-13(17-9-18-14)7-10(12)4-5-11-3-1-2-6-16-11/h1-8H,9H2/b5-4+
InChIKeyZYAQQFUYJQJLAP-SNAWJCMRSA-N
XLogP3.59
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.14
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(6-iodo-1,3-benzodioxol-5-yl)ethenyl]pyridine?
The IUPAC name of 2-[(E)-2-(6-iodo-1,3-benzodioxol-5-yl)ethenyl]pyridine (CID 12026563) is 2-[(E)-2-(6-iodo-1,3-benzodioxol-5-yl)ethenyl]pyridine.
What is the SMILES notation for 2-[(E)-2-(6-iodo-1,3-benzodioxol-5-yl)ethenyl]pyridine?
The canonical SMILES for 2-[(E)-2-(6-iodo-1,3-benzodioxol-5-yl)ethenyl]pyridine is Ic1cc2c(cc1/C=C/c1ccccn1)OCO2.
What is the InChIKey of 2-[(E)-2-(6-iodo-1,3-benzodioxol-5-yl)ethenyl]pyridine?
The InChIKey is ZYAQQFUYJQJLAP-SNAWJCMRSA-N. The full InChI is InChI=1S/C14H10INO2/c15-12-8-14-13(17-9-18-14)7-10(12)4-5-11-3-1-2-6-16-11/h1-8H,9H2/b5-4+.
What are the key properties of 2-[(E)-2-(6-iodo-1,3-benzodioxol-5-yl)ethenyl]pyridine?
2-[(E)-2-(6-iodo-1,3-benzodioxol-5-yl)ethenyl]pyridine has a molecular weight of 351.14 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(6-iodo-1,3-benzodioxol-5-yl)ethenyl]pyridine is sourced from PubChem (CID 12026563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).