1-[2-(2,4,6-trichloroanilino)ethyl]pyridin-2-one

C13H11Cl3N2O — CID 82897453

IUPAC1-[2-(2,4,6-trichloroanilino)ethyl]pyridin-2-one
SMILESO=c1ccccn1CCNc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C13H11Cl3N2O/c14-9-7-10(15)13(11(16)8-9)17-4-6-18-5-2-1-3-12(18)19/h1-3,5,7-8,17H,4,6H2
InChIKeyNQXGNXBGWGVQQE-UHFFFAOYSA-N
MW317.60 g/mol
LogP3.92
Rot. Bonds4

About 1-[2-(2,4,6-trichloroanilino)ethyl]pyridin-2-one

1-[2-(2,4,6-trichloroanilino)ethyl]pyridin-2-one (PubChem CID 82897453) has the molecular formula C13H11Cl3N2O and a molecular weight of 317.60 g/mol. Its IUPAC name is 1-[2-(2,4,6-trichloroanilino)ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(2,4,6-trichloroanilino)ethyl]pyridin-2-one
PubChem CID82897453
Molecular FormulaC13H11Cl3N2O
Molecular Weight317.60 g/mol
Exact Mass315.99
IUPAC Name1-[2-(2,4,6-trichloroanilino)ethyl]pyridin-2-one
SMILESO=c1ccccn1CCNc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C13H11Cl3N2O/c14-9-7-10(15)13(11(16)8-9)17-4-6-18-5-2-1-3-12(18)19/h1-3,5,7-8,17H,4,6H2
InChIKeyNQXGNXBGWGVQQE-UHFFFAOYSA-N
XLogP3.92
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.60
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-chloro-5-fluoroanilino)ethyl]pyridin-2-one
CID 107364758
1-[2-(2,3-dichloroanilino)ethyl]pyridin-2-one
CID 82897843
1-[2-(4-chloroindol-1-yl)ethyl]pyridin-2-one
CID 116623868
1-[2-(3-fluoro-4-methylanilino)ethyl]pyridin-2-one
CID 82898029
1-[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]ethyl]pyridin-2-one
CID 82897772
1-[2-[3-(dimethylamino)anilino]ethyl]pyridin-2-one
CID 82897872
3-[2-(2-oxo-1-pyridinyl)ethylamino]benzonitrile
CID 82897372
2-[2-(2-oxo-1-pyridinyl)ethylamino]benzonitrile
CID 82897285
1-(2-chloroethyl)pyridin-2-one;hydrochloride
CID 12704874
1-[2-[3-(dimethylamino)-4-methylanilino]ethyl]pyridin-2-one
CID 82897970
1-[2-(benzylamino)ethyl]pyridin-2-one
CID 55070999
4-[2-(2-oxo-1-pyridinyl)ethylamino]benzamide
CID 82897188

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4,6-trichloroanilino)ethyl]pyridin-2-one?
The IUPAC name of 1-[2-(2,4,6-trichloroanilino)ethyl]pyridin-2-one (CID 82897453) is 1-[2-(2,4,6-trichloroanilino)ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(2,4,6-trichloroanilino)ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-(2,4,6-trichloroanilino)ethyl]pyridin-2-one is O=c1ccccn1CCNc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 1-[2-(2,4,6-trichloroanilino)ethyl]pyridin-2-one?
The InChIKey is NQXGNXBGWGVQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl3N2O/c14-9-7-10(15)13(11(16)8-9)17-4-6-18-5-2-1-3-12(18)19/h1-3,5,7-8,17H,4,6H2.
What are the key properties of 1-[2-(2,4,6-trichloroanilino)ethyl]pyridin-2-one?
1-[2-(2,4,6-trichloroanilino)ethyl]pyridin-2-one has a molecular weight of 317.60 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4,6-trichloroanilino)ethyl]pyridin-2-one is sourced from PubChem (CID 82897453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).