6-(3,4,5-trichlorophenyl)-1H-pyridin-2-one

C11H6Cl3NO — CID 122200231

IUPAC6-(3,4,5-trichlorophenyl)-1H-pyridin-2-one
SMILESO=c1cccc(-c2cc(Cl)c(Cl)c(Cl)c2)[nH]1
InChIInChI=1S/C11H6Cl3NO/c12-7-4-6(5-8(13)11(7)14)9-2-1-3-10(16)15-9/h1-5H,(H,15,16)
InChIKeyYGXCGMMCWJTOQN-UHFFFAOYSA-N
MW274.53 g/mol
LogP4.00
Rot. Bonds1

About 6-(3,4,5-trichlorophenyl)-1H-pyridin-2-one

6-(3,4,5-trichlorophenyl)-1H-pyridin-2-one (PubChem CID 122200231) has the molecular formula C11H6Cl3NO and a molecular weight of 274.53 g/mol. Its IUPAC name is 6-(3,4,5-trichlorophenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(3,4,5-trichlorophenyl)-1H-pyridin-2-one
PubChem CID122200231
Molecular FormulaC11H6Cl3NO
Molecular Weight274.53 g/mol
Exact Mass272.95
IUPAC Name6-(3,4,5-trichlorophenyl)-1H-pyridin-2-one
SMILESO=c1cccc(-c2cc(Cl)c(Cl)c(Cl)c2)[nH]1
InChIInChI=1S/C11H6Cl3NO/c12-7-4-6(5-8(13)11(7)14)9-2-1-3-10(16)15-9/h1-5H,(H,15,16)
InChIKeyYGXCGMMCWJTOQN-UHFFFAOYSA-N
XLogP4.00
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.53
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

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1-(3,4-dichlorobenzyl)pyridin-2(1H)-one
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Frequently Asked Questions

What is the IUPAC name of 6-(3,4,5-trichlorophenyl)-1H-pyridin-2-one?
The IUPAC name of 6-(3,4,5-trichlorophenyl)-1H-pyridin-2-one (CID 122200231) is 6-(3,4,5-trichlorophenyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(3,4,5-trichlorophenyl)-1H-pyridin-2-one?
The canonical SMILES for 6-(3,4,5-trichlorophenyl)-1H-pyridin-2-one is O=c1cccc(-c2cc(Cl)c(Cl)c(Cl)c2)[nH]1.
What is the InChIKey of 6-(3,4,5-trichlorophenyl)-1H-pyridin-2-one?
The InChIKey is YGXCGMMCWJTOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl3NO/c12-7-4-6(5-8(13)11(7)14)9-2-1-3-10(16)15-9/h1-5H,(H,15,16).
What are the key properties of 6-(3,4,5-trichlorophenyl)-1H-pyridin-2-one?
6-(3,4,5-trichlorophenyl)-1H-pyridin-2-one has a molecular weight of 274.53 g/mol, XLogP of 4.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4,5-trichlorophenyl)-1H-pyridin-2-one is sourced from PubChem (CID 122200231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).