6-chloro-4-hydroxy-5-methyl-1H-pyridin-2-one;hydrochloride

C6H7Cl2NO2 — CID 54697665

IUPAC6-chloro-4-hydroxy-5-methyl-1H-pyridin-2-one;hydrochloride
SMILESCc1c(O)cc(=O)[nH]c1Cl.Cl
InChIInChI=1S/C6H6ClNO2.ClH/c1-3-4(9)2-5(10)8-6(3)7;/h2H,1H3,(H2,8,9,10);1H
InChIKeyCYTKOKOGPXPSNA-UHFFFAOYSA-N
MW196.03 g/mol
LogP1.46
Rot. Bonds

About 6-chloro-4-hydroxy-5-methyl-1H-pyridin-2-one;hydrochloride

6-chloro-4-hydroxy-5-methyl-1H-pyridin-2-one;hydrochloride (PubChem CID 54697665) has the molecular formula C6H7Cl2NO2 and a molecular weight of 196.03 g/mol. Its IUPAC name is 6-chloro-4-hydroxy-5-methyl-1H-pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name6-chloro-4-hydroxy-5-methyl-1H-pyridin-2-one;hydrochloride
PubChem CID54697665
Molecular FormulaC6H7Cl2NO2
Molecular Weight196.03 g/mol
Exact Mass194.99
IUPAC Name6-chloro-4-hydroxy-5-methyl-1H-pyridin-2-one;hydrochloride
SMILESCc1c(O)cc(=O)[nH]c1Cl.Cl
InChIInChI=1S/C6H6ClNO2.ClH/c1-3-4(9)2-5(10)8-6(3)7;/h2H,1H3,(H2,8,9,10);1H
InChIKeyCYTKOKOGPXPSNA-UHFFFAOYSA-N
XLogP1.46
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.03
LogP ≤ 51.46
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-4-hydroxy-5-methyl-1H-pyridin-2-one;hydrochloride?
The IUPAC name of 6-chloro-4-hydroxy-5-methyl-1H-pyridin-2-one;hydrochloride (CID 54697665) is 6-chloro-4-hydroxy-5-methyl-1H-pyridin-2-one;hydrochloride.
What is the SMILES notation for 6-chloro-4-hydroxy-5-methyl-1H-pyridin-2-one;hydrochloride?
The canonical SMILES for 6-chloro-4-hydroxy-5-methyl-1H-pyridin-2-one;hydrochloride is Cc1c(O)cc(=O)[nH]c1Cl.Cl.
What is the InChIKey of 6-chloro-4-hydroxy-5-methyl-1H-pyridin-2-one;hydrochloride?
The InChIKey is CYTKOKOGPXPSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO2.ClH/c1-3-4(9)2-5(10)8-6(3)7;/h2H,1H3,(H2,8,9,10);1H.
What are the key properties of 6-chloro-4-hydroxy-5-methyl-1H-pyridin-2-one;hydrochloride?
6-chloro-4-hydroxy-5-methyl-1H-pyridin-2-one;hydrochloride has a molecular weight of 196.03 g/mol, XLogP of 1.46, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-hydroxy-5-methyl-1H-pyridin-2-one;hydrochloride is sourced from PubChem (CID 54697665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).