3-(1,3-benzodioxol-5-yl)-8-chloroimidazo[1,2-a]pyridine

C14H9ClN2O2 — CID 103095105

IUPAC3-(1,3-benzodioxol-5-yl)-8-chloroimidazo[1,2-a]pyridine
SMILESClc1cccn2c(-c3ccc4c(c3)OCO4)cnc12
InChIInChI=1S/C14H9ClN2O2/c15-10-2-1-5-17-11(7-16-14(10)17)9-3-4-12-13(6-9)19-8-18-12/h1-7H,8H2
InChIKeyJQMNAYMKQXGJEZ-UHFFFAOYSA-N
MW272.69 g/mol
LogP3.38
Rot. Bonds1

About 3-(1,3-benzodioxol-5-yl)-8-chloroimidazo[1,2-a]pyridine

3-(1,3-benzodioxol-5-yl)-8-chloroimidazo[1,2-a]pyridine (PubChem CID 103095105) has the molecular formula C14H9ClN2O2 and a molecular weight of 272.69 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-8-chloroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-8-chloroimidazo[1,2-a]pyridine
PubChem CID103095105
Molecular FormulaC14H9ClN2O2
Molecular Weight272.69 g/mol
Exact Mass272.04
IUPAC Name3-(1,3-benzodioxol-5-yl)-8-chloroimidazo[1,2-a]pyridine
SMILESClc1cccn2c(-c3ccc4c(c3)OCO4)cnc12
InChIInChI=1S/C14H9ClN2O2/c15-10-2-1-5-17-11(7-16-14(10)17)9-3-4-12-13(6-9)19-8-18-12/h1-7H,8H2
InChIKeyJQMNAYMKQXGJEZ-UHFFFAOYSA-N
XLogP3.38
TPSA35.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3-benzodioxol-5-yl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one
CID 121384909
3-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-6-yl]aniline
CID 155550651
3-(1,3-benzodioxol-5-yl)-6-pyridin-4-ylimidazo[1,2-a]pyrazine
CID 146316041
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-propan-2-yloxyimidazo[1,2-a]pyrazine
CID 163318298
5-(1,3-benzodioxol-5-yl)-1-(2-chlorophenyl)pyrazole-3-carbonitrile
CID 82220217
5-(1,3-benzodioxol-5-yl)-N-[(3-chlorophenyl)methyl]-1-methylimidazol-2-amine
CID 650427
4-(1,3-benzodioxol-5-yl)pyrrolo[1,2-a]quinoxaline
CID 155806764
5-(1,3-benzodioxol-5-yl)pyrimidin-2-amine
CID 122200432
4-(1,3-benzodioxol-5-yl)-2-chlorophenol
CID 39232296
1-(8-chloroimidazo[1,2-a]pyridin-3-yl)propan-2-one
CID 83884133
2-(1,3-benzodioxol-5-yl)-5-(3,4-dichlorophenyl)-1,3,4-oxadiazole
CID 903866
3-(1,3-benzodioxol-5-yl)-5-(2-chlorophenyl)-1,2,4-oxadiazole
CID 6459267

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-8-chloroimidazo[1,2-a]pyridine?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-8-chloroimidazo[1,2-a]pyridine (CID 103095105) is 3-(1,3-benzodioxol-5-yl)-8-chloroimidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-8-chloroimidazo[1,2-a]pyridine?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-8-chloroimidazo[1,2-a]pyridine is Clc1cccn2c(-c3ccc4c(c3)OCO4)cnc12.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-8-chloroimidazo[1,2-a]pyridine?
The InChIKey is JQMNAYMKQXGJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O2/c15-10-2-1-5-17-11(7-16-14(10)17)9-3-4-12-13(6-9)19-8-18-12/h1-7H,8H2.
What are the key properties of 3-(1,3-benzodioxol-5-yl)-8-chloroimidazo[1,2-a]pyridine?
3-(1,3-benzodioxol-5-yl)-8-chloroimidazo[1,2-a]pyridine has a molecular weight of 272.69 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-8-chloroimidazo[1,2-a]pyridine is sourced from PubChem (CID 103095105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).