2-[[3-iodo-5-[2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethanol

C16H17IN2O2 — CID 67384502

IUPAC2-[[3-iodo-5-[2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethanol
SMILESCNc1ccc(C=Cc2cnc(OCCO)c(I)c2)cc1
InChIInChI=1S/C16H17IN2O2/c1-18-14-6-4-12(5-7-14)2-3-13-10-15(17)16(19-11-13)21-9-8-20/h2-7,10-11,18,20H,8-9H2,1H3
InChIKeyWFNZNUJABVVFBV-UHFFFAOYSA-N
MW396.23 g/mol
LogP3.27
Rot. Bonds6

About 2-[[3-iodo-5-[2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethanol

2-[[3-iodo-5-[2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethanol (PubChem CID 67384502) has the molecular formula C16H17IN2O2 and a molecular weight of 396.23 g/mol. Its IUPAC name is 2-[[3-iodo-5-[2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethanol.

Molecular Properties

Compound Name2-[[3-iodo-5-[2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethanol
PubChem CID67384502
Molecular FormulaC16H17IN2O2
Molecular Weight396.23 g/mol
Exact Mass396.03
IUPAC Name2-[[3-iodo-5-[2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethanol
SMILESCNc1ccc(C=Cc2cnc(OCCO)c(I)c2)cc1
InChIInChI=1S/C16H17IN2O2/c1-18-14-6-4-12(5-7-14)2-3-13-10-15(17)16(19-11-13)21-9-8-20/h2-7,10-11,18,20H,8-9H2,1H3
InChIKeyWFNZNUJABVVFBV-UHFFFAOYSA-N
XLogP3.27
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.23
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[[3-iodo-5-[2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethanol?
The IUPAC name of 2-[[3-iodo-5-[2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethanol (CID 67384502) is 2-[[3-iodo-5-[2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethanol.
What is the SMILES notation for 2-[[3-iodo-5-[2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethanol?
The canonical SMILES for 2-[[3-iodo-5-[2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethanol is CNc1ccc(C=Cc2cnc(OCCO)c(I)c2)cc1.
What is the InChIKey of 2-[[3-iodo-5-[2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethanol?
The InChIKey is WFNZNUJABVVFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17IN2O2/c1-18-14-6-4-12(5-7-14)2-3-13-10-15(17)16(19-11-13)21-9-8-20/h2-7,10-11,18,20H,8-9H2,1H3.
What are the key properties of 2-[[3-iodo-5-[2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethanol?
2-[[3-iodo-5-[2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethanol has a molecular weight of 396.23 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-iodo-5-[2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethanol is sourced from PubChem (CID 67384502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).