2,3,5-trichloro-1H-pyridin-4-one

C5H2Cl3NO — CID 16076

IUPAC2,3,5-trichloro-1H-pyridin-4-one
SMILESO=c1c(Cl)c[nH]c(Cl)c1Cl
InChIInChI=1S/C5H2Cl3NO/c6-2-1-9-5(8)3(7)4(2)10/h1H,(H,9,10)
InChIKeyXTVIFVALDYTCLL-UHFFFAOYSA-N
MW198.44 g/mol
LogP2.34
Rot. Bonds

About 2,3,5-trichloro-1H-pyridin-4-one

2,3,5-trichloro-1H-pyridin-4-one (PubChem CID 16076) has the molecular formula C5H2Cl3NO and a molecular weight of 198.44 g/mol. Its IUPAC name is 2,3,5-trichloro-1H-pyridin-4-one.

Molecular Properties

Compound Name2,3,5-trichloro-1H-pyridin-4-one
PubChem CID16076
Molecular FormulaC5H2Cl3NO
Molecular Weight198.44 g/mol
Exact Mass196.92
IUPAC Name2,3,5-trichloro-1H-pyridin-4-one
SMILESO=c1c(Cl)c[nH]c(Cl)c1Cl
InChIInChI=1S/C5H2Cl3NO/c6-2-1-9-5(8)3(7)4(2)10/h1H,(H,9,10)
InChIKeyXTVIFVALDYTCLL-UHFFFAOYSA-N
XLogP2.34
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.44
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,5-Dichloro-4-pyridone
CID 87011
2,5-Dichloropyridin-4-ol
CID 2735996
3-Chloro-4-hydroxypyridine
CID 2762929
2,3-Dichloro-4-hydroxypyridine
CID 58535084
2-Bromo-5-chloropyridin-4-ol
CID 57336549
2-Amino-5-chloropyridin-4-ol
CID 44887002
3-Chloro-5-fluoropyridin-4-OL
CID 71720976
3,5-Dichloro-2-fluoropyridin-4-ol
CID 72183152
1,3,5-Trichloropyridin-4(1H)-one
CID 13351798
alpha-Chloro-beta-amino-vinyl ketone
CID 129739718
2-Amino-1-chlorovinyl ketone
CID 129739971
2-Bromo-5-chloro-3-fluoro-4-hydroxypyridine
CID 71300105

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trichloro-1H-pyridin-4-one?
The IUPAC name of 2,3,5-trichloro-1H-pyridin-4-one (CID 16076) is 2,3,5-trichloro-1H-pyridin-4-one.
What is the SMILES notation for 2,3,5-trichloro-1H-pyridin-4-one?
The canonical SMILES for 2,3,5-trichloro-1H-pyridin-4-one is O=c1c(Cl)c[nH]c(Cl)c1Cl.
What is the InChIKey of 2,3,5-trichloro-1H-pyridin-4-one?
The InChIKey is XTVIFVALDYTCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2Cl3NO/c6-2-1-9-5(8)3(7)4(2)10/h1H,(H,9,10).
What are the key properties of 2,3,5-trichloro-1H-pyridin-4-one?
2,3,5-trichloro-1H-pyridin-4-one has a molecular weight of 198.44 g/mol, XLogP of 2.34, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trichloro-1H-pyridin-4-one is sourced from PubChem (CID 16076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).