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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-iodo-6-[(Z)-2-[4-[(Z)-2-(6-iodo-1,3-benzodioxol-5-yl)ethenyl]phenyl]ethenyl]-1,3-benzodioxole
CID 101198729
2-(2-pyridin-2-ylethenyl)pyridine
CID 161029843
5-ethenyl-6-iodo-1,3-benzodioxole
CID 57443645
2-[2-[3,5-bis(2-pyridin-2-ylethenyl)phenyl]ethenyl]pyridine
CID 5076981
2-[(E)-2-(2-methoxyphenyl)ethenyl]pyridine
CID 127035001
tetrakis(benzene-1,2-diol);bis(2-[(E)-2-pyridin-2-ylethenyl]pyridine)
CID 139185658
(Z)-3-(1,3-benzodioxol-5-yl)-1-pyridin-2-ylprop-2-en-1-one
CID 51663355
2-[(E)-2-pyridin-2-ylethenyl]-4,5-dihydro-1,3-thiazole
CID 6529972
2-(6-methylsulfanyl-1,3-benzodioxol-5-yl)pyridine
CID 135001402
3-chloro-4-(2-pyridin-2-ylethenyl)aniline
CID 11837545
2-[2-[5-chloro-2-(phenoxymethyl)phenyl]ethenyl]pyridine
CID 54030885
2-[2-(2,3,4-trifluorophenyl)ethenyl]pyridine
CID 66775546

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).