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

C6H6ClNO2 — CID 69355922

IUPAC4-chloro-6-hydroxy-5-methyl-1H-pyridin-2-one
SMILESCc1c(Cl)cc(=O)[nH]c1O
InChIInChI=1S/C6H6ClNO2/c1-3-4(7)2-5(9)8-6(3)10/h2H,1H3,(H2,8,9,10)
InChIKeyYCOIOAJYJMRGFQ-UHFFFAOYSA-N
MW159.57 g/mol
LogP1.04
Rot. Bonds

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

4-chloro-6-hydroxy-5-methyl-1H-pyridin-2-one (PubChem CID 69355922) has the molecular formula C6H6ClNO2 and a molecular weight of 159.57 g/mol. Its IUPAC name is 4-chloro-6-hydroxy-5-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-chloro-6-hydroxy-5-methyl-1H-pyridin-2-one
PubChem CID69355922
Molecular FormulaC6H6ClNO2
Molecular Weight159.57 g/mol
Exact Mass159.01
IUPAC Name4-chloro-6-hydroxy-5-methyl-1H-pyridin-2-one
SMILESCc1c(Cl)cc(=O)[nH]c1O
InChIInChI=1S/C6H6ClNO2/c1-3-4(7)2-5(9)8-6(3)10/h2H,1H3,(H2,8,9,10)
InChIKeyYCOIOAJYJMRGFQ-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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-hydroxy-5-methyl-1H-pyridin-2-one?
The IUPAC name of 4-chloro-6-hydroxy-5-methyl-1H-pyridin-2-one (CID 69355922) is 4-chloro-6-hydroxy-5-methyl-1H-pyridin-2-one.
What is the SMILES notation for 4-chloro-6-hydroxy-5-methyl-1H-pyridin-2-one?
The canonical SMILES for 4-chloro-6-hydroxy-5-methyl-1H-pyridin-2-one is Cc1c(Cl)cc(=O)[nH]c1O.
What is the InChIKey of 4-chloro-6-hydroxy-5-methyl-1H-pyridin-2-one?
The InChIKey is YCOIOAJYJMRGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO2/c1-3-4(7)2-5(9)8-6(3)10/h2H,1H3,(H2,8,9,10).
What are the key properties of 4-chloro-6-hydroxy-5-methyl-1H-pyridin-2-one?
4-chloro-6-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 4-chloro-6-hydroxy-5-methyl-1H-pyridin-2-one is sourced from PubChem (CID 69355922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).