3-chloro-4-hydroxy-1H-pyridin-2-one

C5H4ClNO2 — CID 54682528

IUPAC3-chloro-4-hydroxy-1H-pyridin-2-one
SMILESO=c1[nH]ccc(O)c1Cl
InChIInChI=1S/C5H4ClNO2/c6-4-3(8)1-2-7-5(4)9/h1-2H,(H2,7,8,9)
InChIKeyIJLSWPCDJFTTSO-UHFFFAOYSA-N
MW145.54 g/mol
LogP0.73
Rot. Bonds

About 3-chloro-4-hydroxy-1H-pyridin-2-one

3-chloro-4-hydroxy-1H-pyridin-2-one (PubChem CID 54682528) has the molecular formula C5H4ClNO2 and a molecular weight of 145.54 g/mol. Its IUPAC name is 3-chloro-4-hydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-4-hydroxy-1H-pyridin-2-one
PubChem CID54682528
Molecular FormulaC5H4ClNO2
Molecular Weight145.54 g/mol
Exact Mass144.99
IUPAC Name3-chloro-4-hydroxy-1H-pyridin-2-one
SMILESO=c1[nH]ccc(O)c1Cl
InChIInChI=1S/C5H4ClNO2/c6-4-3(8)1-2-7-5(4)9/h1-2H,(H2,7,8,9)
InChIKeyIJLSWPCDJFTTSO-UHFFFAOYSA-N
XLogP0.73
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.54
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-hydroxy-1H-pyridin-2-one?
The IUPAC name of 3-chloro-4-hydroxy-1H-pyridin-2-one (CID 54682528) is 3-chloro-4-hydroxy-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-4-hydroxy-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-4-hydroxy-1H-pyridin-2-one is O=c1[nH]ccc(O)c1Cl.
What is the InChIKey of 3-chloro-4-hydroxy-1H-pyridin-2-one?
The InChIKey is IJLSWPCDJFTTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClNO2/c6-4-3(8)1-2-7-5(4)9/h1-2H,(H2,7,8,9).
What are the key properties of 3-chloro-4-hydroxy-1H-pyridin-2-one?
3-chloro-4-hydroxy-1H-pyridin-2-one has a molecular weight of 145.54 g/mol, XLogP of 0.73, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-hydroxy-1H-pyridin-2-one is sourced from PubChem (CID 54682528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).