[2-(6,7-dichloro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-2-oxoethyl] acetate

C15H13Cl2NO4 — CID 169147912

IUPAC[2-(6,7-dichloro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)N1CCc2oc3c(Cl)c(Cl)ccc3c2C1
InChIInChI=1S/C15H13Cl2NO4/c1-8(19)21-7-13(20)18-5-4-12-10(6-18)9-2-3-11(16)14(17)15(9)22-12/h2-3H,4-7H2,1H3
InChIKeyAAGQNTVOXOFWMF-UHFFFAOYSA-N
MW342.18 g/mol
LogP3.19
Rot. Bonds2

About [2-(6,7-dichloro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-2-oxoethyl] acetate

[2-(6,7-dichloro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-2-oxoethyl] acetate (PubChem CID 169147912) has the molecular formula C15H13Cl2NO4 and a molecular weight of 342.18 g/mol. Its IUPAC name is [2-(6,7-dichloro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-(6,7-dichloro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-2-oxoethyl] acetate
PubChem CID169147912
Molecular FormulaC15H13Cl2NO4
Molecular Weight342.18 g/mol
Exact Mass341.02
IUPAC Name[2-(6,7-dichloro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)N1CCc2oc3c(Cl)c(Cl)ccc3c2C1
InChIInChI=1S/C15H13Cl2NO4/c1-8(19)21-7-13(20)18-5-4-12-10(6-18)9-2-3-11(16)14(17)15(9)22-12/h2-3H,4-7H2,1H3
InChIKeyAAGQNTVOXOFWMF-UHFFFAOYSA-N
XLogP3.19
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(6,7-dichloro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-2-oxoethyl] acetate?
The IUPAC name of [2-(6,7-dichloro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-2-oxoethyl] acetate (CID 169147912) is [2-(6,7-dichloro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-2-oxoethyl] acetate.
What is the SMILES notation for [2-(6,7-dichloro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-2-oxoethyl] acetate?
The canonical SMILES for [2-(6,7-dichloro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-2-oxoethyl] acetate is CC(=O)OCC(=O)N1CCc2oc3c(Cl)c(Cl)ccc3c2C1.
What is the InChIKey of [2-(6,7-dichloro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-2-oxoethyl] acetate?
The InChIKey is AAGQNTVOXOFWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO4/c1-8(19)21-7-13(20)18-5-4-12-10(6-18)9-2-3-11(16)14(17)15(9)22-12/h2-3H,4-7H2,1H3.
What are the key properties of [2-(6,7-dichloro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-2-oxoethyl] acetate?
[2-(6,7-dichloro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-2-oxoethyl] acetate has a molecular weight of 342.18 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6,7-dichloro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-2-oxoethyl] acetate is sourced from PubChem (CID 169147912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).