2-[4-(6-(131I)iodoimidazo[1,2-a]pyridin-2-yl)phenoxy]ethanol

C15H13IN2O2 — CID 24880820

IUPAC2-[4-(6-(131I)iodoimidazo[1,2-a]pyridin-2-yl)phenoxy]ethanol
SMILESOCCOc1ccc(-c2cn3cc([131I])ccc3n2)cc1
InChIInChI=1S/C15H13IN2O2/c16-12-3-6-15-17-14(10-18(15)9-12)11-1-4-13(5-2-11)20-8-7-19/h1-6,9-10,19H,7-8H2/i16+4
InChIKeyDQHMMQJBOXYOBS-SZTGYKDWSA-N
MW384.19 g/mol
LogP2.98
Rot. Bonds4

About 2-[4-(6-(131I)iodoimidazo[1,2-a]pyridin-2-yl)phenoxy]ethanol

2-[4-(6-(131I)iodoimidazo[1,2-a]pyridin-2-yl)phenoxy]ethanol (PubChem CID 24880820) has the molecular formula C15H13IN2O2 and a molecular weight of 384.19 g/mol. Its IUPAC name is 2-[4-(6-(131I)iodoimidazo[1,2-a]pyridin-2-yl)phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-(6-(131I)iodoimidazo[1,2-a]pyridin-2-yl)phenoxy]ethanol
PubChem CID24880820
Molecular FormulaC15H13IN2O2
Molecular Weight384.19 g/mol
Exact Mass384.00
IUPAC Name2-[4-(6-(131I)iodoimidazo[1,2-a]pyridin-2-yl)phenoxy]ethanol
SMILESOCCOc1ccc(-c2cn3cc([131I])ccc3n2)cc1
InChIInChI=1S/C15H13IN2O2/c16-12-3-6-15-17-14(10-18(15)9-12)11-1-4-13(5-2-11)20-8-7-19/h1-6,9-10,19H,7-8H2/i16+4
InChIKeyDQHMMQJBOXYOBS-SZTGYKDWSA-N
XLogP2.98
TPSA46.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.19
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(6-(123I)iodoimidazo[1,2-a]pyridin-2-yl)phenoxy]propan-1-ol
CID 24880821
4-(6-(131I)iodoimidazo[1,2-a]pyridin-2-yl)-N,N-dimethyl(131I)aniline
CID 72720802
2-(4-butoxyphenyl)-6-butylsulfanylimidazo[1,2-a]pyridine
CID 135215156
2-[3-(6-(125I)iodoimidazo[1,2-a]pyridin-2-yl)phenoxy]ethanol
CID 24880884
2-[4-(3-fluoropropoxy)phenyl]-6-(methoxymethoxy)imidazo[1,2-a]pyridine
CID 68587943
4-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]imidazo[1,2-a]pyridin-2-yl]-N,N-dimethylaniline
CID 87627962
[2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]methanol
CID 82356958
[2-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]methanol
CID 14155694
2-(4-butoxyphenyl)-7-methylimidazo[1,2-a]pyridine
CID 19210007
[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methanol
CID 54382865
2-[3-[4-(6-butylsulfanylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]guanidine
CID 130385568
[2-(4-ethylphenyl)imidazo[1,2-a]pyridin-6-yl]methanol
CID 82356943

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-(131I)iodoimidazo[1,2-a]pyridin-2-yl)phenoxy]ethanol?
The IUPAC name of 2-[4-(6-(131I)iodoimidazo[1,2-a]pyridin-2-yl)phenoxy]ethanol (CID 24880820) is 2-[4-(6-(131I)iodoimidazo[1,2-a]pyridin-2-yl)phenoxy]ethanol.
What is the SMILES notation for 2-[4-(6-(131I)iodoimidazo[1,2-a]pyridin-2-yl)phenoxy]ethanol?
The canonical SMILES for 2-[4-(6-(131I)iodoimidazo[1,2-a]pyridin-2-yl)phenoxy]ethanol is OCCOc1ccc(-c2cn3cc([131I])ccc3n2)cc1.
What is the InChIKey of 2-[4-(6-(131I)iodoimidazo[1,2-a]pyridin-2-yl)phenoxy]ethanol?
The InChIKey is DQHMMQJBOXYOBS-SZTGYKDWSA-N. The full InChI is InChI=1S/C15H13IN2O2/c16-12-3-6-15-17-14(10-18(15)9-12)11-1-4-13(5-2-11)20-8-7-19/h1-6,9-10,19H,7-8H2/i16+4.
What are the key properties of 2-[4-(6-(131I)iodoimidazo[1,2-a]pyridin-2-yl)phenoxy]ethanol?
2-[4-(6-(131I)iodoimidazo[1,2-a]pyridin-2-yl)phenoxy]ethanol has a molecular weight of 384.19 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-(131I)iodoimidazo[1,2-a]pyridin-2-yl)phenoxy]ethanol is sourced from PubChem (CID 24880820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).