2-pyridin-3-yl-3H-isoindol-1-one

C13H10N2O — CID 102423009

IUPAC2-pyridin-3-yl-3H-isoindol-1-one
SMILESO=C1c2ccccc2CN1c1cccnc1
InChIInChI=1S/C13H10N2O/c16-13-12-6-2-1-4-10(12)9-15(13)11-5-3-7-14-8-11/h1-8H,9H2
InChIKeySUAKEFHOAPROFH-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.24
Rot. Bonds1

About 2-pyridin-3-yl-3H-isoindol-1-one

2-pyridin-3-yl-3H-isoindol-1-one (PubChem CID 102423009) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-pyridin-3-yl-3H-isoindol-1-one.

Molecular Properties

Compound Name2-pyridin-3-yl-3H-isoindol-1-one
PubChem CID102423009
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name2-pyridin-3-yl-3H-isoindol-1-one
SMILESO=C1c2ccccc2CN1c1cccnc1
InChIInChI=1S/C13H10N2O/c16-13-12-6-2-1-4-10(12)9-15(13)11-5-3-7-14-8-11/h1-8H,9H2
InChIKeySUAKEFHOAPROFH-UHFFFAOYSA-N
XLogP2.24
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-3H-isoindol-1-one?
The IUPAC name of 2-pyridin-3-yl-3H-isoindol-1-one (CID 102423009) is 2-pyridin-3-yl-3H-isoindol-1-one.
What is the SMILES notation for 2-pyridin-3-yl-3H-isoindol-1-one?
The canonical SMILES for 2-pyridin-3-yl-3H-isoindol-1-one is O=C1c2ccccc2CN1c1cccnc1.
What is the InChIKey of 2-pyridin-3-yl-3H-isoindol-1-one?
The InChIKey is SUAKEFHOAPROFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O/c16-13-12-6-2-1-4-10(12)9-15(13)11-5-3-7-14-8-11/h1-8H,9H2.
What are the key properties of 2-pyridin-3-yl-3H-isoindol-1-one?
2-pyridin-3-yl-3H-isoindol-1-one has a molecular weight of 210.24 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-3H-isoindol-1-one is sourced from PubChem (CID 102423009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).