1-(4,4-dideuterioindol-7-yl)pyridin-2-one

C13H10N2O — CID 175841544

IUPAC1-(4,4-dideuterioindol-7-yl)pyridin-2-one
SMILES[2H]C1([2H])C=CC(n2ccccc2=O)=C2N=CC=C21
InChIInChI=1S/C13H10N2O/c16-12-6-1-2-9-15(12)11-5-3-4-10-7-8-14-13(10)11/h1-3,5-9H,4H2/i4D2
InChIKeyXPILPKUEVVTKAV-APZFVMQVSA-N
MW212.25 g/mol
LogP1.99
Rot. Bonds1

About 1-(4,4-dideuterioindol-7-yl)pyridin-2-one

1-(4,4-dideuterioindol-7-yl)pyridin-2-one (PubChem CID 175841544) has the molecular formula C13H10N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-(4,4-dideuterioindol-7-yl)pyridin-2-one.

Molecular Properties

Compound Name1-(4,4-dideuterioindol-7-yl)pyridin-2-one
PubChem CID175841544
Molecular FormulaC13H10N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name1-(4,4-dideuterioindol-7-yl)pyridin-2-one
SMILES[2H]C1([2H])C=CC(n2ccccc2=O)=C2N=CC=C21
InChIInChI=1S/C13H10N2O/c16-12-6-1-2-9-15(12)11-5-3-4-10-7-8-14-13(10)11/h1-3,5-9H,4H2/i4D2
InChIKeyXPILPKUEVVTKAV-APZFVMQVSA-N
XLogP1.99
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dideuterioindol-7-yl)pyridin-2-one?
The IUPAC name of 1-(4,4-dideuterioindol-7-yl)pyridin-2-one (CID 175841544) is 1-(4,4-dideuterioindol-7-yl)pyridin-2-one.
What is the SMILES notation for 1-(4,4-dideuterioindol-7-yl)pyridin-2-one?
The canonical SMILES for 1-(4,4-dideuterioindol-7-yl)pyridin-2-one is [2H]C1([2H])C=CC(n2ccccc2=O)=C2N=CC=C21.
What is the InChIKey of 1-(4,4-dideuterioindol-7-yl)pyridin-2-one?
The InChIKey is XPILPKUEVVTKAV-APZFVMQVSA-N. The full InChI is InChI=1S/C13H10N2O/c16-12-6-1-2-9-15(12)11-5-3-4-10-7-8-14-13(10)11/h1-3,5-9H,4H2/i4D2.
What are the key properties of 1-(4,4-dideuterioindol-7-yl)pyridin-2-one?
1-(4,4-dideuterioindol-7-yl)pyridin-2-one has a molecular weight of 212.25 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dideuterioindol-7-yl)pyridin-2-one is sourced from PubChem (CID 175841544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).