5-(1,1-dideuterioethyl)-1-(2,3,4,5,6-pentadeuteriophenyl)pyridin-2-one

C13H13NO — CID 122692634

IUPAC5-(1,1-dideuterioethyl)-1-(2,3,4,5,6-pentadeuteriophenyl)pyridin-2-one
SMILES[2H]c1c([2H])c([2H])c(-n2cc(C([2H])([2H])C)ccc2=O)c([2H])c1[2H]
InChIInChI=1S/C13H13NO/c1-2-11-8-9-13(15)14(10-11)12-6-4-3-5-7-12/h3-10H,2H2,1H3/i2D2,3D,4D,5D,6D,7D
InChIKeyVANOHWLVAFCHBO-GGTYFICESA-N
MW206.30 g/mol
LogP2.40
Rot. Bonds2

About 5-(1,1-dideuterioethyl)-1-(2,3,4,5,6-pentadeuteriophenyl)pyridin-2-one

5-(1,1-dideuterioethyl)-1-(2,3,4,5,6-pentadeuteriophenyl)pyridin-2-one (PubChem CID 122692634) has the molecular formula C13H13NO and a molecular weight of 206.30 g/mol. Its IUPAC name is 5-(1,1-dideuterioethyl)-1-(2,3,4,5,6-pentadeuteriophenyl)pyridin-2-one.

Molecular Properties

Compound Name5-(1,1-dideuterioethyl)-1-(2,3,4,5,6-pentadeuteriophenyl)pyridin-2-one
PubChem CID122692634
Molecular FormulaC13H13NO
Molecular Weight206.30 g/mol
Exact Mass206.14
IUPAC Name5-(1,1-dideuterioethyl)-1-(2,3,4,5,6-pentadeuteriophenyl)pyridin-2-one
SMILES[2H]c1c([2H])c([2H])c(-n2cc(C([2H])([2H])C)ccc2=O)c([2H])c1[2H]
InChIInChI=1S/C13H13NO/c1-2-11-8-9-13(15)14(10-11)12-6-4-3-5-7-12/h3-10H,2H2,1H3/i2D2,3D,4D,5D,6D,7D
InChIKeyVANOHWLVAFCHBO-GGTYFICESA-N
XLogP2.40
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.30
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-dideuterioethyl)-1-(2,3,4,5,6-pentadeuteriophenyl)pyridin-2-one?
The IUPAC name of 5-(1,1-dideuterioethyl)-1-(2,3,4,5,6-pentadeuteriophenyl)pyridin-2-one (CID 122692634) is 5-(1,1-dideuterioethyl)-1-(2,3,4,5,6-pentadeuteriophenyl)pyridin-2-one.
What is the SMILES notation for 5-(1,1-dideuterioethyl)-1-(2,3,4,5,6-pentadeuteriophenyl)pyridin-2-one?
The canonical SMILES for 5-(1,1-dideuterioethyl)-1-(2,3,4,5,6-pentadeuteriophenyl)pyridin-2-one is [2H]c1c([2H])c([2H])c(-n2cc(C([2H])([2H])C)ccc2=O)c([2H])c1[2H].
What is the InChIKey of 5-(1,1-dideuterioethyl)-1-(2,3,4,5,6-pentadeuteriophenyl)pyridin-2-one?
The InChIKey is VANOHWLVAFCHBO-GGTYFICESA-N. The full InChI is InChI=1S/C13H13NO/c1-2-11-8-9-13(15)14(10-11)12-6-4-3-5-7-12/h3-10H,2H2,1H3/i2D2,3D,4D,5D,6D,7D.
What are the key properties of 5-(1,1-dideuterioethyl)-1-(2,3,4,5,6-pentadeuteriophenyl)pyridin-2-one?
5-(1,1-dideuterioethyl)-1-(2,3,4,5,6-pentadeuteriophenyl)pyridin-2-one has a molecular weight of 206.30 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-dideuterioethyl)-1-(2,3,4,5,6-pentadeuteriophenyl)pyridin-2-one is sourced from PubChem (CID 122692634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).