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

C17H19IN2O2 — CID 67384509

IUPAC2-[[5-[2-[4-(dimethylamino)phenyl]ethenyl]-3-iodo-2-pyridinyl]oxy]ethanol
SMILESCN(C)c1ccc(C=Cc2cnc(OCCO)c(I)c2)cc1
InChIInChI=1S/C17H19IN2O2/c1-20(2)15-7-5-13(6-8-15)3-4-14-11-16(18)17(19-12-14)22-10-9-21/h3-8,11-12,21H,9-10H2,1-2H3
InChIKeyWPWFHGOKCHAUPZ-UHFFFAOYSA-N
MW410.26 g/mol
LogP3.29
Rot. Bonds6

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

2-[[5-[2-[4-(dimethylamino)phenyl]ethenyl]-3-iodo-2-pyridinyl]oxy]ethanol (PubChem CID 67384509) has the molecular formula C17H19IN2O2 and a molecular weight of 410.26 g/mol. Its IUPAC name is 2-[[5-[2-[4-(dimethylamino)phenyl]ethenyl]-3-iodo-2-pyridinyl]oxy]ethanol.

Molecular Properties

Compound Name2-[[5-[2-[4-(dimethylamino)phenyl]ethenyl]-3-iodo-2-pyridinyl]oxy]ethanol
PubChem CID67384509
Molecular FormulaC17H19IN2O2
Molecular Weight410.26 g/mol
Exact Mass410.05
IUPAC Name2-[[5-[2-[4-(dimethylamino)phenyl]ethenyl]-3-iodo-2-pyridinyl]oxy]ethanol
SMILESCN(C)c1ccc(C=Cc2cnc(OCCO)c(I)c2)cc1
InChIInChI=1S/C17H19IN2O2/c1-20(2)15-7-5-13(6-8-15)3-4-14-11-16(18)17(19-12-14)22-10-9-21/h3-8,11-12,21H,9-10H2,1-2H3
InChIKeyWPWFHGOKCHAUPZ-UHFFFAOYSA-N
XLogP3.29
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.26
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[2-[4-(dimethylamino)phenyl]ethenyl]-3-iodo-2-pyridinyl]oxy]ethanol?
The IUPAC name of 2-[[5-[2-[4-(dimethylamino)phenyl]ethenyl]-3-iodo-2-pyridinyl]oxy]ethanol (CID 67384509) is 2-[[5-[2-[4-(dimethylamino)phenyl]ethenyl]-3-iodo-2-pyridinyl]oxy]ethanol.
What is the SMILES notation for 2-[[5-[2-[4-(dimethylamino)phenyl]ethenyl]-3-iodo-2-pyridinyl]oxy]ethanol?
The canonical SMILES for 2-[[5-[2-[4-(dimethylamino)phenyl]ethenyl]-3-iodo-2-pyridinyl]oxy]ethanol is CN(C)c1ccc(C=Cc2cnc(OCCO)c(I)c2)cc1.
What is the InChIKey of 2-[[5-[2-[4-(dimethylamino)phenyl]ethenyl]-3-iodo-2-pyridinyl]oxy]ethanol?
The InChIKey is WPWFHGOKCHAUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19IN2O2/c1-20(2)15-7-5-13(6-8-15)3-4-14-11-16(18)17(19-12-14)22-10-9-21/h3-8,11-12,21H,9-10H2,1-2H3.
What are the key properties of 2-[[5-[2-[4-(dimethylamino)phenyl]ethenyl]-3-iodo-2-pyridinyl]oxy]ethanol?
2-[[5-[2-[4-(dimethylamino)phenyl]ethenyl]-3-iodo-2-pyridinyl]oxy]ethanol has a molecular weight of 410.26 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[2-[4-(dimethylamino)phenyl]ethenyl]-3-iodo-2-pyridinyl]oxy]ethanol is sourced from PubChem (CID 67384509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).