2-(5-chloro-2,4-dimethoxyphenyl)-6-iodoimidazo[1,2-a]pyridine

C15H12ClIN2O2 — CID 135281243

IUPAC2-(5-chloro-2,4-dimethoxyphenyl)-6-iodoimidazo[1,2-a]pyridine
SMILESCOc1cc(OC)c(-c2cn3cc(I)ccc3n2)cc1Cl
InChIInChI=1S/C15H12ClIN2O2/c1-20-13-6-14(21-2)11(16)5-10(13)12-8-19-7-9(17)3-4-15(19)18-12/h3-8H,1-2H3
InChIKeyHWZAVWFCGHKARM-UHFFFAOYSA-N
MW414.63 g/mol
LogP4.28
Rot. Bonds3

About 2-(5-chloro-2,4-dimethoxyphenyl)-6-iodoimidazo[1,2-a]pyridine

2-(5-chloro-2,4-dimethoxyphenyl)-6-iodoimidazo[1,2-a]pyridine (PubChem CID 135281243) has the molecular formula C15H12ClIN2O2 and a molecular weight of 414.63 g/mol. Its IUPAC name is 2-(5-chloro-2,4-dimethoxyphenyl)-6-iodoimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(5-chloro-2,4-dimethoxyphenyl)-6-iodoimidazo[1,2-a]pyridine
PubChem CID135281243
Molecular FormulaC15H12ClIN2O2
Molecular Weight414.63 g/mol
Exact Mass413.96
IUPAC Name2-(5-chloro-2,4-dimethoxyphenyl)-6-iodoimidazo[1,2-a]pyridine
SMILESCOc1cc(OC)c(-c2cn3cc(I)ccc3n2)cc1Cl
InChIInChI=1S/C15H12ClIN2O2/c1-20-13-6-14(21-2)11(16)5-10(13)12-8-19-7-9(17)3-4-15(19)18-12/h3-8H,1-2H3
InChIKeyHWZAVWFCGHKARM-UHFFFAOYSA-N
XLogP4.28
TPSA35.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.63
LogP ≤ 54.28
H-Bond Donors ≤ 50
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-(5-chloro-2,4-dimethoxyphenyl)-6-iodoimidazo[1,2-a]pyridine?
The IUPAC name of 2-(5-chloro-2,4-dimethoxyphenyl)-6-iodoimidazo[1,2-a]pyridine (CID 135281243) is 2-(5-chloro-2,4-dimethoxyphenyl)-6-iodoimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(5-chloro-2,4-dimethoxyphenyl)-6-iodoimidazo[1,2-a]pyridine?
The canonical SMILES for 2-(5-chloro-2,4-dimethoxyphenyl)-6-iodoimidazo[1,2-a]pyridine is COc1cc(OC)c(-c2cn3cc(I)ccc3n2)cc1Cl.
What is the InChIKey of 2-(5-chloro-2,4-dimethoxyphenyl)-6-iodoimidazo[1,2-a]pyridine?
The InChIKey is HWZAVWFCGHKARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClIN2O2/c1-20-13-6-14(21-2)11(16)5-10(13)12-8-19-7-9(17)3-4-15(19)18-12/h3-8H,1-2H3.
What are the key properties of 2-(5-chloro-2,4-dimethoxyphenyl)-6-iodoimidazo[1,2-a]pyridine?
2-(5-chloro-2,4-dimethoxyphenyl)-6-iodoimidazo[1,2-a]pyridine has a molecular weight of 414.63 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,4-dimethoxyphenyl)-6-iodoimidazo[1,2-a]pyridine is sourced from PubChem (CID 135281243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).