2,5-dichloro-1H-pyridin-4-one

C5H3Cl2NO — CID 2735996

IUPAC2,5-dichloro-1H-pyridin-4-one
SMILESO=c1cc(Cl)[nH]cc1Cl
InChIInChI=1S/C5H3Cl2NO/c6-3-2-8-5(7)1-4(3)9/h1-2H,(H,8,9)
InChIKeyRJKYZTVQNJPAGX-UHFFFAOYSA-N
MW163.99 g/mol
LogP1.68
Rot. Bonds

About 2,5-dichloro-1H-pyridin-4-one

2,5-dichloro-1H-pyridin-4-one (PubChem CID 2735996) has the molecular formula C5H3Cl2NO and a molecular weight of 163.99 g/mol. Its IUPAC name is 2,5-dichloro-1H-pyridin-4-one.

Molecular Properties

Compound Name2,5-dichloro-1H-pyridin-4-one
PubChem CID2735996
Molecular FormulaC5H3Cl2NO
Molecular Weight163.99 g/mol
Exact Mass162.96
IUPAC Name2,5-dichloro-1H-pyridin-4-one
SMILESO=c1cc(Cl)[nH]cc1Cl
InChIInChI=1S/C5H3Cl2NO/c6-3-2-8-5(7)1-4(3)9/h1-2H,(H,8,9)
InChIKeyRJKYZTVQNJPAGX-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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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-1H-pyridin-4-one?
The IUPAC name of 2,5-dichloro-1H-pyridin-4-one (CID 2735996) is 2,5-dichloro-1H-pyridin-4-one.
What is the SMILES notation for 2,5-dichloro-1H-pyridin-4-one?
The canonical SMILES for 2,5-dichloro-1H-pyridin-4-one is O=c1cc(Cl)[nH]cc1Cl.
What is the InChIKey of 2,5-dichloro-1H-pyridin-4-one?
The InChIKey is RJKYZTVQNJPAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Cl2NO/c6-3-2-8-5(7)1-4(3)9/h1-2H,(H,8,9).
What are the key properties of 2,5-dichloro-1H-pyridin-4-one?
2,5-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 2,5-dichloro-1H-pyridin-4-one is sourced from PubChem (CID 2735996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).