2,3-dichloro-1H-pyridin-4-one

C5H3Cl2NO — CID 58535084

IUPAC2,3-dichloro-1H-pyridin-4-one
SMILESO=c1cc[nH]c(Cl)c1Cl
InChIInChI=1S/C5H3Cl2NO/c6-4-3(9)1-2-8-5(4)7/h1-2H,(H,8,9)
InChIKeyOIIQOSKJOINELL-UHFFFAOYSA-N
MW163.99 g/mol
LogP1.68
Rot. Bonds

About 2,3-dichloro-1H-pyridin-4-one

2,3-dichloro-1H-pyridin-4-one (PubChem CID 58535084) has the molecular formula C5H3Cl2NO and a molecular weight of 163.99 g/mol. Its IUPAC name is 2,3-dichloro-1H-pyridin-4-one.

Molecular Properties

Compound Name2,3-dichloro-1H-pyridin-4-one
PubChem CID58535084
Molecular FormulaC5H3Cl2NO
Molecular Weight163.99 g/mol
Exact Mass162.96
IUPAC Name2,3-dichloro-1H-pyridin-4-one
SMILESO=c1cc[nH]c(Cl)c1Cl
InChIInChI=1S/C5H3Cl2NO/c6-4-3(9)1-2-8-5(4)7/h1-2H,(H,8,9)
InChIKeyOIIQOSKJOINELL-UHFFFAOYSA-N
XLogP1.68
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.99
LogP ≤ 51.68
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
Pyriclor
CID 16076
2-Chloro-4(1H)-pyridinone
CID 87010
2,5-Dichloropyridin-4-ol
CID 2735996
3-Chloro-4-hydroxypyridine
CID 2762929
2-Chloro-5-iodo-4-pyridinol
CID 58053654
2-Chloro-3-fluoro-4-hydroxypyridine
CID 70700710
2-Chloro-5-fluoropyridin-4-ol
CID 72212506
2-Bromo-5-chloropyridin-4-ol
CID 57336549
4-Pyridone hydrochloride
CID 12219127
2-Amino-5-chloropyridin-4-ol
CID 44887002
3-Chloro-5-fluoropyridin-4-OL
CID 71720976

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-1H-pyridin-4-one?
The IUPAC name of 2,3-dichloro-1H-pyridin-4-one (CID 58535084) is 2,3-dichloro-1H-pyridin-4-one.
What is the SMILES notation for 2,3-dichloro-1H-pyridin-4-one?
The canonical SMILES for 2,3-dichloro-1H-pyridin-4-one is O=c1cc[nH]c(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-1H-pyridin-4-one?
The InChIKey is OIIQOSKJOINELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Cl2NO/c6-4-3(9)1-2-8-5(4)7/h1-2H,(H,8,9).
What are the key properties of 2,3-dichloro-1H-pyridin-4-one?
2,3-dichloro-1H-pyridin-4-one has a molecular weight of 163.99 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-1H-pyridin-4-one is sourced from PubChem (CID 58535084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).