(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate

C17H13ClN2O4 — CID 8819981

IUPAC(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
SMILESO=C(OCc1cn2cc(Cl)ccc2n1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H13ClN2O4/c18-12-2-4-16-19-13(9-20(16)8-12)10-24-17(21)11-1-3-14-15(7-11)23-6-5-22-14/h1-4,7-9H,5-6,10H2
InChIKeyYZCVESKAGKWMCO-UHFFFAOYSA-N
MW344.75 g/mol
LogP3.12
Rot. Bonds3

About (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate

(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate (PubChem CID 8819981) has the molecular formula C17H13ClN2O4 and a molecular weight of 344.75 g/mol. Its IUPAC name is (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate.

Molecular Properties

Compound Name(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
PubChem CID8819981
Molecular FormulaC17H13ClN2O4
Molecular Weight344.75 g/mol
Exact Mass344.06
IUPAC Name(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
SMILESO=C(OCc1cn2cc(Cl)ccc2n1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H13ClN2O4/c18-12-2-4-16-19-13(9-20(16)8-12)10-24-17(21)11-1-3-14-15(7-11)23-6-5-22-14/h1-4,7-9H,5-6,10H2
InChIKeyYZCVESKAGKWMCO-UHFFFAOYSA-N
XLogP3.12
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.75
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 4-(difluoromethoxy)-3-methoxybenzoate
CID 7151600
(2,4-dichlorophenyl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 3477429
(3,4-dichlorophenyl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 7841805
(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-fluorobenzoate
CID 24686105
(4-chlorophenyl)methyl 1,3-benzodioxole-5-carboxylate
CID 2556848
(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-oxo-6-phenyl-1H-pyridine-3-carboxylate
CID 75416787
[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 55818214
(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-chlorobenzoate
CID 18199886
(2S)-2-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 97204369
ethyl 2,3,5,6-tetrahydro-1,4,7-benzotrioxonine-9-carboxylate
CID 138479505
diethyl 2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene-11,24-dicarboxylate
CID 3590202
(6-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-methoxybenzoate
CID 18099535

Frequently Asked Questions

What is the IUPAC name of (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate?
The IUPAC name of (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate (CID 8819981) is (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate.
What is the SMILES notation for (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate?
The canonical SMILES for (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate is O=C(OCc1cn2cc(Cl)ccc2n1)c1ccc2c(c1)OCCO2.
What is the InChIKey of (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate?
The InChIKey is YZCVESKAGKWMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O4/c18-12-2-4-16-19-13(9-20(16)8-12)10-24-17(21)11-1-3-14-15(7-11)23-6-5-22-14/h1-4,7-9H,5-6,10H2.
What are the key properties of (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate?
(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate has a molecular weight of 344.75 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate is sourced from PubChem (CID 8819981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).