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

C11H6Cl3NO — CID 133091398

IUPAC3-(2,4,5-trichlorophenyl)-1H-pyridin-2-one
SMILESO=c1[nH]cccc1-c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C11H6Cl3NO/c12-8-5-10(14)9(13)4-7(8)6-2-1-3-15-11(6)16/h1-5H,(H,15,16)
InChIKeyKBDCGINCZNYFMP-UHFFFAOYSA-N
MW274.53 g/mol
LogP4.00
Rot. Bonds1

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

3-(2,4,5-trichlorophenyl)-1H-pyridin-2-one (PubChem CID 133091398) has the molecular formula C11H6Cl3NO and a molecular weight of 274.53 g/mol. Its IUPAC name is 3-(2,4,5-trichlorophenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(2,4,5-trichlorophenyl)-1H-pyridin-2-one
PubChem CID133091398
Molecular FormulaC11H6Cl3NO
Molecular Weight274.53 g/mol
Exact Mass272.95
IUPAC Name3-(2,4,5-trichlorophenyl)-1H-pyridin-2-one
SMILESO=c1[nH]cccc1-c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C11H6Cl3NO/c12-8-5-10(14)9(13)4-7(8)6-2-1-3-15-11(6)16/h1-5H,(H,15,16)
InChIKeyKBDCGINCZNYFMP-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

3-(2,3-dichlorophenyl)-1H-pyridin-2-one
CID 53218031
2-oxo-3-(2,4,5-trichlorophenyl)-1H-pyridine-4-carbaldehyde
CID 133091384
3-(3-chloro-5-fluorophenyl)-1H-pyridin-2-one
CID 53217879
3-(furan-3-yl)-1H-pyridin-2-one
CID 10374724
3-(2,4,5-trichlorophenyl)-2-(trifluoromethyl)-1H-pyridin-4-one
CID 118844206
3-[5,6-dichloro-1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one
CID 3759652
3-(1-methylpyrrol-2-yl)-1H-pyridin-2-one
CID 10058012
2-(2-oxo-1H-pyridin-3-yl)-4-phenylbenzoic acid
CID 69007139
3-[5,6-dichloro-1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one
CID 1471042
3-(3-ethylphenyl)-1H-pyridin-2-one
CID 57202866
2-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-4-one
CID 133091420
3-(3-fluoro-4-methylphenyl)-1H-pyridin-2-one
CID 53217607

Frequently Asked Questions

What is the IUPAC name of 3-(2,4,5-trichlorophenyl)-1H-pyridin-2-one?
The IUPAC name of 3-(2,4,5-trichlorophenyl)-1H-pyridin-2-one (CID 133091398) is 3-(2,4,5-trichlorophenyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(2,4,5-trichlorophenyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(2,4,5-trichlorophenyl)-1H-pyridin-2-one is O=c1[nH]cccc1-c1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 3-(2,4,5-trichlorophenyl)-1H-pyridin-2-one?
The InChIKey is KBDCGINCZNYFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl3NO/c12-8-5-10(14)9(13)4-7(8)6-2-1-3-15-11(6)16/h1-5H,(H,15,16).
What are the key properties of 3-(2,4,5-trichlorophenyl)-1H-pyridin-2-one?
3-(2,4,5-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 3-(2,4,5-trichlorophenyl)-1H-pyridin-2-one is sourced from PubChem (CID 133091398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).