2,3,5-trichloro-1-methylpyridin-4-one

C6H4Cl3NO — CID 3755144

IUPAC2,3,5-trichloro-1-methylpyridin-4-one
SMILESCn1cc(Cl)c(=O)c(Cl)c1Cl
InChIInChI=1S/C6H4Cl3NO/c1-10-2-3(7)5(11)4(8)6(10)9/h2H,1H3
InChIKeyFPXLIJYWIPPMRU-UHFFFAOYSA-N
MW212.46 g/mol
LogP2.35
Rot. Bonds

About 2,3,5-trichloro-1-methylpyridin-4-one

2,3,5-trichloro-1-methylpyridin-4-one (PubChem CID 3755144) has the molecular formula C6H4Cl3NO and a molecular weight of 212.46 g/mol. Its IUPAC name is 2,3,5-trichloro-1-methylpyridin-4-one.

Molecular Properties

Compound Name2,3,5-trichloro-1-methylpyridin-4-one
PubChem CID3755144
Molecular FormulaC6H4Cl3NO
Molecular Weight212.46 g/mol
Exact Mass210.94
IUPAC Name2,3,5-trichloro-1-methylpyridin-4-one
SMILESCn1cc(Cl)c(=O)c(Cl)c1Cl
InChIInChI=1S/C6H4Cl3NO/c1-10-2-3(7)5(11)4(8)6(10)9/h2H,1H3
InChIKeyFPXLIJYWIPPMRU-UHFFFAOYSA-N
XLogP2.35
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.46
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(E)-1,1,1-trichloro-4-(dimethylamino)but-3-en-2-one
CID 2333345
Pyridine, 3,5-dichloro-1,4-dihydro-1-methyl-4-oxo-
CID 3695034
Pyridine, 2-chloro-1,4-dihydro-1-methyl-4-oxo-
CID 123233898
1,3,5-Trichloropyridin-4(1H)-one
CID 13351798
(E)-3-chloro-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one
CID 2316136
(Z)-3-chloro-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one
CID 2316137
3-Chloro-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one
CID 4110204
2-Bromo-5-chloro-3-fluoro-1-methylpyridin-4(1H)-one
CID 74890169
3,5-Dichloro-1-(2-oxopropyl)pyridin-4-one
CID 2726700
1,1,1-Trichloro-4-(dimethylamino)but-3-en-2-one
CID 3263554
3,5-Dichloro-1-(2-methylpropyl)pyridin-4-one
CID 68063229
3,5-Dichloro-1-ethylpyridin-4-one
CID 89207368

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trichloro-1-methylpyridin-4-one?
The IUPAC name of 2,3,5-trichloro-1-methylpyridin-4-one (CID 3755144) is 2,3,5-trichloro-1-methylpyridin-4-one.
What is the SMILES notation for 2,3,5-trichloro-1-methylpyridin-4-one?
The canonical SMILES for 2,3,5-trichloro-1-methylpyridin-4-one is Cn1cc(Cl)c(=O)c(Cl)c1Cl.
What is the InChIKey of 2,3,5-trichloro-1-methylpyridin-4-one?
The InChIKey is FPXLIJYWIPPMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl3NO/c1-10-2-3(7)5(11)4(8)6(10)9/h2H,1H3.
What are the key properties of 2,3,5-trichloro-1-methylpyridin-4-one?
2,3,5-trichloro-1-methylpyridin-4-one has a molecular weight of 212.46 g/mol, XLogP of 2.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trichloro-1-methylpyridin-4-one is sourced from PubChem (CID 3755144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).