1-[6-(2,3-dihydro-1H-isoindol-5-yloxy)-3-pyridinyl]ethanone

C15H14N2O2 — CID 142876508

IUPAC1-[6-(2,3-dihydro-1H-isoindol-5-yloxy)-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(Oc2ccc3c(c2)CNC3)nc1
InChIInChI=1S/C15H14N2O2/c1-10(18)11-3-5-15(17-9-11)19-14-4-2-12-7-16-8-13(12)6-14/h2-6,9,16H,7-8H2,1H3
InChIKeyIVRXUPRQCPUQNN-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.68
Rot. Bonds3

About 1-[6-(2,3-dihydro-1H-isoindol-5-yloxy)-3-pyridinyl]ethanone

1-[6-(2,3-dihydro-1H-isoindol-5-yloxy)-3-pyridinyl]ethanone (PubChem CID 142876508) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-[6-(2,3-dihydro-1H-isoindol-5-yloxy)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-(2,3-dihydro-1H-isoindol-5-yloxy)-3-pyridinyl]ethanone
PubChem CID142876508
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name1-[6-(2,3-dihydro-1H-isoindol-5-yloxy)-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(Oc2ccc3c(c2)CNC3)nc1
InChIInChI=1S/C15H14N2O2/c1-10(18)11-3-5-15(17-9-11)19-14-4-2-12-7-16-8-13(12)6-14/h2-6,9,16H,7-8H2,1H3
InChIKeyIVRXUPRQCPUQNN-UHFFFAOYSA-N
XLogP2.68
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,3-dihydro-1H-isoindol-5-yloxy)pyridine-3-carboxamide
CID 59730173
6-(1,2,3,4-tetrahydroisoquinolin-6-yloxy)pyridine-3-carboxamide
CID 59730015
ethane;1-[6-(4-phosphanylphenoxy)-3-pyridinyl]ethanone
CID 143530827
ethane;1-(6-phenoxy-3-pyridinyl)ethanone
CID 91184231
1-[4-[(5-amino-2-pyridinyl)oxy]phenyl]ethanone
CID 18673928
1-[6-(2-bromo-4-methoxyphenoxy)-3-pyridinyl]ethanone
CID 113443679
6-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)oxy]pyridine-3-carboxamide
CID 59730393
1-(6-chloro-3-pyridinyl)ethanone;1-(6-phenoxy-3-pyridinyl)ethanone
CID 161154288
6-[(7-oxo-6,8-dihydro-5H-naphthalen-2-yl)oxy]pyridine-3-carboxamide
CID 59750644
1-(6-pyridin-2-yloxy-3-pyridinyl)ethanone
CID 58109878
ethane;1-(6-methoxy-3-pyridinyl)ethanone
CID 142833845
1-[6-(5-amino-2-methylphenoxy)-3-pyridinyl]ethanone
CID 134828568

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2,3-dihydro-1H-isoindol-5-yloxy)-3-pyridinyl]ethanone?
The IUPAC name of 1-[6-(2,3-dihydro-1H-isoindol-5-yloxy)-3-pyridinyl]ethanone (CID 142876508) is 1-[6-(2,3-dihydro-1H-isoindol-5-yloxy)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-(2,3-dihydro-1H-isoindol-5-yloxy)-3-pyridinyl]ethanone?
The canonical SMILES for 1-[6-(2,3-dihydro-1H-isoindol-5-yloxy)-3-pyridinyl]ethanone is CC(=O)c1ccc(Oc2ccc3c(c2)CNC3)nc1.
What is the InChIKey of 1-[6-(2,3-dihydro-1H-isoindol-5-yloxy)-3-pyridinyl]ethanone?
The InChIKey is IVRXUPRQCPUQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-10(18)11-3-5-15(17-9-11)19-14-4-2-12-7-16-8-13(12)6-14/h2-6,9,16H,7-8H2,1H3.
What are the key properties of 1-[6-(2,3-dihydro-1H-isoindol-5-yloxy)-3-pyridinyl]ethanone?
1-[6-(2,3-dihydro-1H-isoindol-5-yloxy)-3-pyridinyl]ethanone has a molecular weight of 254.29 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,3-dihydro-1H-isoindol-5-yloxy)-3-pyridinyl]ethanone is sourced from PubChem (CID 142876508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).