2-(1,3-benzodioxol-5-yl)-6-chloro-3-iodoimidazo[1,2-a]pyridine

C14H8ClIN2O2 — CID 75412206

IUPAC2-(1,3-benzodioxol-5-yl)-6-chloro-3-iodoimidazo[1,2-a]pyridine
SMILESClc1ccc2nc(-c3ccc4c(c3)OCO4)c(I)n2c1
InChIInChI=1S/C14H8ClIN2O2/c15-9-2-4-12-17-13(14(16)18(12)6-9)8-1-3-10-11(5-8)20-7-19-10/h1-6H,7H2
InChIKeyDWKWHRSVZCLSAC-UHFFFAOYSA-N
MW398.59 g/mol
LogP3.99
Rot. Bonds1

About 2-(1,3-benzodioxol-5-yl)-6-chloro-3-iodoimidazo[1,2-a]pyridine

2-(1,3-benzodioxol-5-yl)-6-chloro-3-iodoimidazo[1,2-a]pyridine (PubChem CID 75412206) has the molecular formula C14H8ClIN2O2 and a molecular weight of 398.59 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-6-chloro-3-iodoimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-6-chloro-3-iodoimidazo[1,2-a]pyridine
PubChem CID75412206
Molecular FormulaC14H8ClIN2O2
Molecular Weight398.59 g/mol
Exact Mass397.93
IUPAC Name2-(1,3-benzodioxol-5-yl)-6-chloro-3-iodoimidazo[1,2-a]pyridine
SMILESClc1ccc2nc(-c3ccc4c(c3)OCO4)c(I)n2c1
InChIInChI=1S/C14H8ClIN2O2/c15-9-2-4-12-17-13(14(16)18(12)6-9)8-1-3-10-11(5-8)20-7-19-10/h1-6H,7H2
InChIKeyDWKWHRSVZCLSAC-UHFFFAOYSA-N
XLogP3.99
TPSA35.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.59
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(1,3-benzodioxol-5-yl)-6-chloroimidazo[1,2-a]pyridin-3-yl]ethanethioamide
CID 39134123
2-[2-(1,3-benzodioxol-5-yl)-6-chloroimidazo[1,2-a]pyridin-3-yl]propanenitrile
CID 82030074
6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine
CID 63619145
2-(1,3-benzodioxol-5-yl)-N-benzyl-6-chloroimidazo[1,2-a]pyridin-3-amine
CID 42738374
N-(1,3-benzodioxol-5-yl)-6-chloro-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-amine
CID 122174795
2-[6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-yl]propanenitrile
CID 82030062
2-(1,3-benzodioxol-5-yl)-6-methylimidazo[1,2-a]pyridin-3-amine
CID 63618611
2-[2-(1,3-benzodioxol-5-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanamine
CID 39134449
(6E)-6-(1,3-benzodioxol-5-ylmethylidene)-12-chloro-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraen-2-one
CID 70491285
2-(1,3-benzodioxol-5-yl)-N-tert-butyl-6-methylimidazo[1,2-a]pyridin-3-amine
CID 809308
4-(1,3-benzodioxol-5-yl)-2-(4-bromophenyl)-6-(4-chlorophenyl)pyridine
CID 102071898
2-(1,3-benzodioxol-5-yl)-6-chloroimidazo[1,2-b]pyridazine
CID 15749997

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-6-chloro-3-iodoimidazo[1,2-a]pyridine?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-6-chloro-3-iodoimidazo[1,2-a]pyridine (CID 75412206) is 2-(1,3-benzodioxol-5-yl)-6-chloro-3-iodoimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-6-chloro-3-iodoimidazo[1,2-a]pyridine?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-6-chloro-3-iodoimidazo[1,2-a]pyridine is Clc1ccc2nc(-c3ccc4c(c3)OCO4)c(I)n2c1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-6-chloro-3-iodoimidazo[1,2-a]pyridine?
The InChIKey is DWKWHRSVZCLSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClIN2O2/c15-9-2-4-12-17-13(14(16)18(12)6-9)8-1-3-10-11(5-8)20-7-19-10/h1-6H,7H2.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-6-chloro-3-iodoimidazo[1,2-a]pyridine?
2-(1,3-benzodioxol-5-yl)-6-chloro-3-iodoimidazo[1,2-a]pyridine has a molecular weight of 398.59 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-6-chloro-3-iodoimidazo[1,2-a]pyridine is sourced from PubChem (CID 75412206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).