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

C5H4ClNO2 — CID 46891672

IUPAC6-chloro-3-hydroxy-1H-pyridin-2-one
SMILESO=c1[nH]c(Cl)ccc1O
InChIInChI=1S/C5H4ClNO2/c6-4-2-1-3(8)5(9)7-4/h1-2,8H,(H,7,9)
InChIKeyNSCKQMGUZSJNII-UHFFFAOYSA-N
MW145.54 g/mol
LogP0.73
Rot. Bonds

About 6-chloro-3-hydroxy-1H-pyridin-2-one

6-chloro-3-hydroxy-1H-pyridin-2-one (PubChem CID 46891672) has the molecular formula C5H4ClNO2 and a molecular weight of 145.54 g/mol. Its IUPAC name is 6-chloro-3-hydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Name6-chloro-3-hydroxy-1H-pyridin-2-one
PubChem CID46891672
Molecular FormulaC5H4ClNO2
Molecular Weight145.54 g/mol
Exact Mass144.99
IUPAC Name6-chloro-3-hydroxy-1H-pyridin-2-one
SMILESO=c1[nH]c(Cl)ccc1O
InChIInChI=1S/C5H4ClNO2/c6-4-2-1-3(8)5(9)7-4/h1-2,8H,(H,7,9)
InChIKeyNSCKQMGUZSJNII-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

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 6-chloro-3-hydroxy-1H-pyridin-2-one?
The IUPAC name of 6-chloro-3-hydroxy-1H-pyridin-2-one (CID 46891672) is 6-chloro-3-hydroxy-1H-pyridin-2-one.
What is the SMILES notation for 6-chloro-3-hydroxy-1H-pyridin-2-one?
The canonical SMILES for 6-chloro-3-hydroxy-1H-pyridin-2-one is O=c1[nH]c(Cl)ccc1O.
What is the InChIKey of 6-chloro-3-hydroxy-1H-pyridin-2-one?
The InChIKey is NSCKQMGUZSJNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClNO2/c6-4-2-1-3(8)5(9)7-4/h1-2,8H,(H,7,9).
What are the key properties of 6-chloro-3-hydroxy-1H-pyridin-2-one?
6-chloro-3-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 6-chloro-3-hydroxy-1H-pyridin-2-one is sourced from PubChem (CID 46891672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).