1-phenyl-5-(trideuteriomethyl)pyridin-2-one

C12H11NO — CID 25145077

IUPAC1-phenyl-5-(trideuteriomethyl)pyridin-2-one
SMILES[2H]C([2H])([2H])c1ccc(=O)n(-c2ccccc2)c1
InChIInChI=1S/C12H11NO/c1-10-7-8-12(14)13(9-10)11-5-3-2-4-6-11/h2-9H,1H3/i1D3
InChIKeyISWRGOKTTBVCFA-FIBGUPNXSA-N
MW188.24 g/mol
LogP2.15
Rot. Bonds2

About 1-phenyl-5-(trideuteriomethyl)pyridin-2-one

1-phenyl-5-(trideuteriomethyl)pyridin-2-one (PubChem CID 25145077) has the molecular formula C12H11NO and a molecular weight of 188.24 g/mol. Its IUPAC name is 1-phenyl-5-(trideuteriomethyl)pyridin-2-one.

Molecular Properties

Compound Name1-phenyl-5-(trideuteriomethyl)pyridin-2-one
PubChem CID25145077
Molecular FormulaC12H11NO
Molecular Weight188.24 g/mol
Exact Mass188.10
IUPAC Name1-phenyl-5-(trideuteriomethyl)pyridin-2-one
SMILES[2H]C([2H])([2H])c1ccc(=O)n(-c2ccccc2)c1
InChIInChI=1S/C12H11NO/c1-10-7-8-12(14)13(9-10)11-5-3-2-4-6-11/h2-9H,1H3/i1D3
InChIKeyISWRGOKTTBVCFA-FIBGUPNXSA-N
XLogP2.15
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.24
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-(trideuteriomethyl)pyridin-2-one?
The IUPAC name of 1-phenyl-5-(trideuteriomethyl)pyridin-2-one (CID 25145077) is 1-phenyl-5-(trideuteriomethyl)pyridin-2-one.
What is the SMILES notation for 1-phenyl-5-(trideuteriomethyl)pyridin-2-one?
The canonical SMILES for 1-phenyl-5-(trideuteriomethyl)pyridin-2-one is [2H]C([2H])([2H])c1ccc(=O)n(-c2ccccc2)c1.
What is the InChIKey of 1-phenyl-5-(trideuteriomethyl)pyridin-2-one?
The InChIKey is ISWRGOKTTBVCFA-FIBGUPNXSA-N. The full InChI is InChI=1S/C12H11NO/c1-10-7-8-12(14)13(9-10)11-5-3-2-4-6-11/h2-9H,1H3/i1D3.
What are the key properties of 1-phenyl-5-(trideuteriomethyl)pyridin-2-one?
1-phenyl-5-(trideuteriomethyl)pyridin-2-one has a molecular weight of 188.24 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-(trideuteriomethyl)pyridin-2-one is sourced from PubChem (CID 25145077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).