5-chloro-3H-pyridin-2-one

C5H4ClNO — CID 91257746

IUPAC5-chloro-3H-pyridin-2-one
SMILESO=C1CC=C(Cl)C=N1
InChIInChI=1S/C5H4ClNO/c6-4-1-2-5(8)7-3-4/h1,3H,2H2
InChIKeyMLFOJINDRHZUNG-UHFFFAOYSA-N
MW129.55 g/mol
LogP1.11
Rot. Bonds

About 5-chloro-3H-pyridin-2-one

5-chloro-3H-pyridin-2-one (PubChem CID 91257746) has the molecular formula C5H4ClNO and a molecular weight of 129.55 g/mol. Its IUPAC name is 5-chloro-3H-pyridin-2-one.

Molecular Properties

Compound Name5-chloro-3H-pyridin-2-one
PubChem CID91257746
Molecular FormulaC5H4ClNO
Molecular Weight129.55 g/mol
Exact Mass129.00
IUPAC Name5-chloro-3H-pyridin-2-one
SMILESO=C1CC=C(Cl)C=N1
InChIInChI=1S/C5H4ClNO/c6-4-1-2-5(8)7-3-4/h1,3H,2H2
InChIKeyMLFOJINDRHZUNG-UHFFFAOYSA-N
XLogP1.11
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.55
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3H-pyridin-2-one?
The IUPAC name of 5-chloro-3H-pyridin-2-one (CID 91257746) is 5-chloro-3H-pyridin-2-one.
What is the SMILES notation for 5-chloro-3H-pyridin-2-one?
The canonical SMILES for 5-chloro-3H-pyridin-2-one is O=C1CC=C(Cl)C=N1.
What is the InChIKey of 5-chloro-3H-pyridin-2-one?
The InChIKey is MLFOJINDRHZUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClNO/c6-4-1-2-5(8)7-3-4/h1,3H,2H2.
What are the key properties of 5-chloro-3H-pyridin-2-one?
5-chloro-3H-pyridin-2-one has a molecular weight of 129.55 g/mol, XLogP of 1.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3H-pyridin-2-one is sourced from PubChem (CID 91257746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).