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

C6H6ClNO2 — CID 54695998

IUPAC6-chloro-4-hydroxy-5-methyl-1H-pyridin-2-one
SMILESCc1c(O)cc(=O)[nH]c1Cl
InChIInChI=1S/C6H6ClNO2/c1-3-4(9)2-5(10)8-6(3)7/h2H,1H3,(H2,8,9,10)
InChIKeyQUBIGHOVXYVMCY-UHFFFAOYSA-N
MW159.57 g/mol
LogP1.04
Rot. Bonds

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

6-chloro-4-hydroxy-5-methyl-1H-pyridin-2-one (PubChem CID 54695998) has the molecular formula C6H6ClNO2 and a molecular weight of 159.57 g/mol. Its IUPAC name is 6-chloro-4-hydroxy-5-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-chloro-4-hydroxy-5-methyl-1H-pyridin-2-one
PubChem CID54695998
Molecular FormulaC6H6ClNO2
Molecular Weight159.57 g/mol
Exact Mass159.01
IUPAC Name6-chloro-4-hydroxy-5-methyl-1H-pyridin-2-one
SMILESCc1c(O)cc(=O)[nH]c1Cl
InChIInChI=1S/C6H6ClNO2/c1-3-4(9)2-5(10)8-6(3)7/h2H,1H3,(H2,8,9,10)
InChIKeyQUBIGHOVXYVMCY-UHFFFAOYSA-N
XLogP1.04
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.57
LogP ≤ 51.04
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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Related Compounds

3-Methyl-2,4,6-trihydroxypyridine
CID 54695999
2-Chloro-3-(8-chloroethyl)-4,6-dihydroxy-pyridine
CID 129793951
2-Chloro-3-(beta-chloroethyl)-4,6-dihydroxypyridine
CID 129874012
6-chloro-5-(difluoromethyl)-4-hydroxy-1H-pyridin-2-one
CID 130099999
5-(difluoromethyl)-6-fluoro-4-hydroxy-1H-pyridin-2-one
CID 130100041
5,6-dihydroxy-4-methyl-1H-pyridin-2-one
CID 20197815
6-Chloro-4-hydroxy-5-methyl-1,2-dihydropyridin-2-one hydrochloride
CID 54697665
6-chloro-4-hydroxy-5-propyl-1H-pyridin-2-one
CID 54718388
6-chloro-4-hydroxy-5-methylpyridin-2(1H)-one hydrochloride hydrate
CID 54723380
5-ethyl-4,6-dihydroxy-1H-pyridin-2-one
CID 68981775
4-chloro-6-hydroxy-5-methyl-1H-pyridin-2-one
CID 69355922
6-Chloro-5-ethyl-4-hydroxypyridin-2(1H)-one
CID 89422878

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-hydroxy-5-methyl-1H-pyridin-2-one?
The IUPAC name of 6-chloro-4-hydroxy-5-methyl-1H-pyridin-2-one (CID 54695998) is 6-chloro-4-hydroxy-5-methyl-1H-pyridin-2-one.
What is the SMILES notation for 6-chloro-4-hydroxy-5-methyl-1H-pyridin-2-one?
The canonical SMILES for 6-chloro-4-hydroxy-5-methyl-1H-pyridin-2-one is Cc1c(O)cc(=O)[nH]c1Cl.
What is the InChIKey of 6-chloro-4-hydroxy-5-methyl-1H-pyridin-2-one?
The InChIKey is QUBIGHOVXYVMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO2/c1-3-4(9)2-5(10)8-6(3)7/h2H,1H3,(H2,8,9,10).
What are the key properties of 6-chloro-4-hydroxy-5-methyl-1H-pyridin-2-one?
6-chloro-4-hydroxy-5-methyl-1H-pyridin-2-one has a molecular weight of 159.57 g/mol, XLogP of 1.04, 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 is sourced from PubChem (CID 54695998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).