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

C11H6Cl3NO — CID 133092614

IUPAC5-(2,3,6-trichlorophenyl)-1H-pyridin-2-one
SMILESO=c1ccc(-c2c(Cl)ccc(Cl)c2Cl)c[nH]1
InChIInChI=1S/C11H6Cl3NO/c12-7-2-3-8(13)11(14)10(7)6-1-4-9(16)15-5-6/h1-5H,(H,15,16)
InChIKeyAAMLZBLSTUIIOK-UHFFFAOYSA-N
MW274.53 g/mol
LogP4.00
Rot. Bonds1

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

5-(2,3,6-trichlorophenyl)-1H-pyridin-2-one (PubChem CID 133092614) has the molecular formula C11H6Cl3NO and a molecular weight of 274.53 g/mol. Its IUPAC name is 5-(2,3,6-trichlorophenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(2,3,6-trichlorophenyl)-1H-pyridin-2-one
PubChem CID133092614
Molecular FormulaC11H6Cl3NO
Molecular Weight274.53 g/mol
Exact Mass272.95
IUPAC Name5-(2,3,6-trichlorophenyl)-1H-pyridin-2-one
SMILESO=c1ccc(-c2c(Cl)ccc(Cl)c2Cl)c[nH]1
InChIInChI=1S/C11H6Cl3NO/c12-7-2-3-8(13)11(14)10(7)6-1-4-9(16)15-5-6/h1-5H,(H,15,16)
InChIKeyAAMLZBLSTUIIOK-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_1', 'substructure': 'N/A'}

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Related Compounds

5-chloro-4-(2,3,6-trichlorophenyl)-1H-pyridin-2-one
CID 133092530
5-phenyl-1H-pyridin-2-one
CID 10057963
5-[3-amino-4-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one
CID 136742850
5-(2,5-dichloropyrimidin-4-yl)-1H-pyridin-2-one
CID 172591540
5-fluoro-3-(2,3,6-trichlorophenyl)-1H-pyridin-2-one
CID 133092539
4-hydroxy-6-(2,3,6-trichlorophenyl)-1H-indole-3-carbaldehyde
CID 118810434
5-(hydroxymethyl)-3-(2,3,6-trichlorophenyl)-1H-pyridin-2-one
CID 133092649
5-(3,4-dimethylphenyl)-1H-pyridin-2-one
CID 90292651
5,8-dichloronaphthalene-1,4-dione
CID 4568698
5-[4-chloro-2-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 122358482
5-[5-amino-4-(4-chlorophenyl)-1-methylpyrazol-3-yl]-1H-pyridin-2-one
CID 136710576
5-(4-methylsulfonylphenyl)-1H-pyridin-2-one
CID 53218127

Frequently Asked Questions

What is the IUPAC name of 5-(2,3,6-trichlorophenyl)-1H-pyridin-2-one?
The IUPAC name of 5-(2,3,6-trichlorophenyl)-1H-pyridin-2-one (CID 133092614) is 5-(2,3,6-trichlorophenyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(2,3,6-trichlorophenyl)-1H-pyridin-2-one?
The canonical SMILES for 5-(2,3,6-trichlorophenyl)-1H-pyridin-2-one is O=c1ccc(-c2c(Cl)ccc(Cl)c2Cl)c[nH]1.
What is the InChIKey of 5-(2,3,6-trichlorophenyl)-1H-pyridin-2-one?
The InChIKey is AAMLZBLSTUIIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl3NO/c12-7-2-3-8(13)11(14)10(7)6-1-4-9(16)15-5-6/h1-5H,(H,15,16).
What are the key properties of 5-(2,3,6-trichlorophenyl)-1H-pyridin-2-one?
5-(2,3,6-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 5-(2,3,6-trichlorophenyl)-1H-pyridin-2-one is sourced from PubChem (CID 133092614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).