2-[2-(1,3-benzodioxol-5-yl)-6-chloroimidazo[1,2-a]pyridin-3-yl]propanenitrile

C17H12ClN3O2 — CID 82030074

IUPAC2-[2-(1,3-benzodioxol-5-yl)-6-chloroimidazo[1,2-a]pyridin-3-yl]propanenitrile
SMILESCC(C#N)c1c(-c2ccc3c(c2)OCO3)nc2ccc(Cl)cn12
InChIInChI=1S/C17H12ClN3O2/c1-10(7-19)17-16(20-15-5-3-12(18)8-21(15)17)11-2-4-13-14(6-11)23-9-22-13/h2-6,8,10H,9H2,1H3
InChIKeyAZMQAJTWAOUCEI-UHFFFAOYSA-N
MW325.76 g/mol
LogP4.01
Rot. Bonds2

About 2-[2-(1,3-benzodioxol-5-yl)-6-chloroimidazo[1,2-a]pyridin-3-yl]propanenitrile

2-[2-(1,3-benzodioxol-5-yl)-6-chloroimidazo[1,2-a]pyridin-3-yl]propanenitrile (PubChem CID 82030074) has the molecular formula C17H12ClN3O2 and a molecular weight of 325.76 g/mol. Its IUPAC name is 2-[2-(1,3-benzodioxol-5-yl)-6-chloroimidazo[1,2-a]pyridin-3-yl]propanenitrile.

Molecular Properties

Compound Name2-[2-(1,3-benzodioxol-5-yl)-6-chloroimidazo[1,2-a]pyridin-3-yl]propanenitrile
PubChem CID82030074
Molecular FormulaC17H12ClN3O2
Molecular Weight325.76 g/mol
Exact Mass325.06
IUPAC Name2-[2-(1,3-benzodioxol-5-yl)-6-chloroimidazo[1,2-a]pyridin-3-yl]propanenitrile
SMILESCC(C#N)c1c(-c2ccc3c(c2)OCO3)nc2ccc(Cl)cn12
InChIInChI=1S/C17H12ClN3O2/c1-10(7-19)17-16(20-15-5-3-12(18)8-21(15)17)11-2-4-13-14(6-11)23-9-22-13/h2-6,8,10H,9H2,1H3
InChIKeyAZMQAJTWAOUCEI-UHFFFAOYSA-N
XLogP4.01
TPSA59.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.76
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-benzodioxol-5-yl)-6-chloroimidazo[1,2-a]pyridin-3-yl]propanenitrile?
The IUPAC name of 2-[2-(1,3-benzodioxol-5-yl)-6-chloroimidazo[1,2-a]pyridin-3-yl]propanenitrile (CID 82030074) is 2-[2-(1,3-benzodioxol-5-yl)-6-chloroimidazo[1,2-a]pyridin-3-yl]propanenitrile.
What is the SMILES notation for 2-[2-(1,3-benzodioxol-5-yl)-6-chloroimidazo[1,2-a]pyridin-3-yl]propanenitrile?
The canonical SMILES for 2-[2-(1,3-benzodioxol-5-yl)-6-chloroimidazo[1,2-a]pyridin-3-yl]propanenitrile is CC(C#N)c1c(-c2ccc3c(c2)OCO3)nc2ccc(Cl)cn12.
What is the InChIKey of 2-[2-(1,3-benzodioxol-5-yl)-6-chloroimidazo[1,2-a]pyridin-3-yl]propanenitrile?
The InChIKey is AZMQAJTWAOUCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O2/c1-10(7-19)17-16(20-15-5-3-12(18)8-21(15)17)11-2-4-13-14(6-11)23-9-22-13/h2-6,8,10H,9H2,1H3.
What are the key properties of 2-[2-(1,3-benzodioxol-5-yl)-6-chloroimidazo[1,2-a]pyridin-3-yl]propanenitrile?
2-[2-(1,3-benzodioxol-5-yl)-6-chloroimidazo[1,2-a]pyridin-3-yl]propanenitrile has a molecular weight of 325.76 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-benzodioxol-5-yl)-6-chloroimidazo[1,2-a]pyridin-3-yl]propanenitrile is sourced from PubChem (CID 82030074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).