2-[6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-yl]propanenitrile

C18H14ClN3O2 — CID 82030062

IUPAC2-[6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-yl]propanenitrile
SMILESCC(C#N)c1c(-c2ccc3c(c2)OCCO3)nc2ccc(Cl)cn12
InChIInChI=1S/C18H14ClN3O2/c1-11(9-20)18-17(21-16-5-3-13(19)10-22(16)18)12-2-4-14-15(8-12)24-7-6-23-14/h2-5,8,10-11H,6-7H2,1H3
InChIKeyBEXXGNLYGDGJNT-UHFFFAOYSA-N
MW339.78 g/mol
LogP4.05
Rot. Bonds2

About 2-[6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-yl]propanenitrile

2-[6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-yl]propanenitrile (PubChem CID 82030062) has the molecular formula C18H14ClN3O2 and a molecular weight of 339.78 g/mol. Its IUPAC name is 2-[6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-yl]propanenitrile.

Molecular Properties

Compound Name2-[6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-yl]propanenitrile
PubChem CID82030062
Molecular FormulaC18H14ClN3O2
Molecular Weight339.78 g/mol
Exact Mass339.08
IUPAC Name2-[6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-yl]propanenitrile
SMILESCC(C#N)c1c(-c2ccc3c(c2)OCCO3)nc2ccc(Cl)cn12
InChIInChI=1S/C18H14ClN3O2/c1-11(9-20)18-17(21-16-5-3-13(19)10-22(16)18)12-2-4-14-15(8-12)24-7-6-23-14/h2-5,8,10-11H,6-7H2,1H3
InChIKeyBEXXGNLYGDGJNT-UHFFFAOYSA-N
XLogP4.05
TPSA59.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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)-6-chloro-3-iodoimidazo[1,2-a]pyridine
CID 75412206
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylimidazo[1,2-a]pyridine-6-carbonitrile
CID 82060365
2-[2-(4-fluorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]propanenitrile
CID 82029983
2-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)propanenitrile
CID 82029976
2-[2-(1,3-benzodioxol-5-yl)-6-chloroimidazo[1,2-a]pyridin-3-yl]ethanethioamide
CID 39134123
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 36688055
2-(1,3-benzodioxol-5-yl)-N-benzyl-6-chloroimidazo[1,2-a]pyridin-3-amine
CID 42738374
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-methylimidazo[1,2-a]pyridin-3-amine
CID 82355851
1-[6-chloro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyridin-3-yl]propan-1-ol
CID 82029560
6,8-dichloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 110311943

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-yl]propanenitrile?
The IUPAC name of 2-[6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-yl]propanenitrile (CID 82030062) is 2-[6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-yl]propanenitrile.
What is the SMILES notation for 2-[6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-yl]propanenitrile?
The canonical SMILES for 2-[6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-yl]propanenitrile is CC(C#N)c1c(-c2ccc3c(c2)OCCO3)nc2ccc(Cl)cn12.
What is the InChIKey of 2-[6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-yl]propanenitrile?
The InChIKey is BEXXGNLYGDGJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O2/c1-11(9-20)18-17(21-16-5-3-13(19)10-22(16)18)12-2-4-14-15(8-12)24-7-6-23-14/h2-5,8,10-11H,6-7H2,1H3.
What are the key properties of 2-[6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-yl]propanenitrile?
2-[6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-yl]propanenitrile has a molecular weight of 339.78 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-yl]propanenitrile is sourced from PubChem (CID 82030062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).