1-deuterio-4-phenylpyridin-2-one

C11H9NO — CID 175786459

IUPAC1-deuterio-4-phenylpyridin-2-one
SMILES[2H]n1ccc(-c2ccccc2)cc1=O
InChIInChI=1S/C11H9NO/c13-11-8-10(6-7-12-11)9-4-2-1-3-5-9/h1-8H,(H,12,13)/i/hD
InChIKeyDNUDULSSNHKPHP-DYCDLGHISA-N
MW172.21 g/mol
LogP2.04
Rot. Bonds1

About 1-deuterio-4-phenylpyridin-2-one

1-deuterio-4-phenylpyridin-2-one (PubChem CID 175786459) has the molecular formula C11H9NO and a molecular weight of 172.21 g/mol. Its IUPAC name is 1-deuterio-4-phenylpyridin-2-one.

Molecular Properties

Compound Name1-deuterio-4-phenylpyridin-2-one
PubChem CID175786459
Molecular FormulaC11H9NO
Molecular Weight172.21 g/mol
Exact Mass172.07
IUPAC Name1-deuterio-4-phenylpyridin-2-one
SMILES[2H]n1ccc(-c2ccccc2)cc1=O
InChIInChI=1S/C11H9NO/c13-11-8-10(6-7-12-11)9-4-2-1-3-5-9/h1-8H,(H,12,13)/i/hD
InChIKeyDNUDULSSNHKPHP-DYCDLGHISA-N
XLogP2.04
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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6-fluoro-4-phenyl-1H-pyridin-2-one
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1,4-bis[3-(3-phenylphenyl)phenyl]benzene
CID 123341500
1-(3-phenylphenyl)-3,5-bis[3-(3-phenylphenyl)phenyl]benzene
CID 177124488
1-phenyl-4-[3-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 12623236
5-(4-phenylphenyl)-1,2-dihydropyrazol-3-one
CID 1260075
2-phenyl-7-(3-phenylphenyl)triphenylene
CID 140787387
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CID 167425355
1,3,5-triphenylbenzene
CID 158331433

Frequently Asked Questions

What is the IUPAC name of 1-deuterio-4-phenylpyridin-2-one?
The IUPAC name of 1-deuterio-4-phenylpyridin-2-one (CID 175786459) is 1-deuterio-4-phenylpyridin-2-one.
What is the SMILES notation for 1-deuterio-4-phenylpyridin-2-one?
The canonical SMILES for 1-deuterio-4-phenylpyridin-2-one is [2H]n1ccc(-c2ccccc2)cc1=O.
What is the InChIKey of 1-deuterio-4-phenylpyridin-2-one?
The InChIKey is DNUDULSSNHKPHP-DYCDLGHISA-N. The full InChI is InChI=1S/C11H9NO/c13-11-8-10(6-7-12-11)9-4-2-1-3-5-9/h1-8H,(H,12,13)/i/hD.
What are the key properties of 1-deuterio-4-phenylpyridin-2-one?
1-deuterio-4-phenylpyridin-2-one has a molecular weight of 172.21 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-deuterio-4-phenylpyridin-2-one is sourced from PubChem (CID 175786459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).