5-chloro-6-hydroxy-1-(2-hydroxyethyl)-4-methylpyridin-2-one

C8H10ClNO3 — CID 20562296

IUPAC5-chloro-6-hydroxy-1-(2-hydroxyethyl)-4-methylpyridin-2-one
SMILESCc1cc(=O)n(CCO)c(O)c1Cl
InChIInChI=1S/C8H10ClNO3/c1-5-4-6(12)10(2-3-11)8(13)7(5)9/h4,11,13H,2-3H2,1H3
InChIKeyCBUQDMOIWNWYAZ-UHFFFAOYSA-N
MW203.62 g/mol
LogP0.51
Rot. Bonds2

About 5-chloro-6-hydroxy-1-(2-hydroxyethyl)-4-methylpyridin-2-one

5-chloro-6-hydroxy-1-(2-hydroxyethyl)-4-methylpyridin-2-one (PubChem CID 20562296) has the molecular formula C8H10ClNO3 and a molecular weight of 203.62 g/mol. Its IUPAC name is 5-chloro-6-hydroxy-1-(2-hydroxyethyl)-4-methylpyridin-2-one.

Molecular Properties

Compound Name5-chloro-6-hydroxy-1-(2-hydroxyethyl)-4-methylpyridin-2-one
PubChem CID20562296
Molecular FormulaC8H10ClNO3
Molecular Weight203.62 g/mol
Exact Mass203.03
IUPAC Name5-chloro-6-hydroxy-1-(2-hydroxyethyl)-4-methylpyridin-2-one
SMILESCc1cc(=O)n(CCO)c(O)c1Cl
InChIInChI=1S/C8H10ClNO3/c1-5-4-6(12)10(2-3-11)8(13)7(5)9/h4,11,13H,2-3H2,1H3
InChIKeyCBUQDMOIWNWYAZ-UHFFFAOYSA-N
XLogP0.51
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.62
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-hydroxy-1-(2-hydroxyethyl)-4-methylpyridin-2-one?
The IUPAC name of 5-chloro-6-hydroxy-1-(2-hydroxyethyl)-4-methylpyridin-2-one (CID 20562296) is 5-chloro-6-hydroxy-1-(2-hydroxyethyl)-4-methylpyridin-2-one.
What is the SMILES notation for 5-chloro-6-hydroxy-1-(2-hydroxyethyl)-4-methylpyridin-2-one?
The canonical SMILES for 5-chloro-6-hydroxy-1-(2-hydroxyethyl)-4-methylpyridin-2-one is Cc1cc(=O)n(CCO)c(O)c1Cl.
What is the InChIKey of 5-chloro-6-hydroxy-1-(2-hydroxyethyl)-4-methylpyridin-2-one?
The InChIKey is CBUQDMOIWNWYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO3/c1-5-4-6(12)10(2-3-11)8(13)7(5)9/h4,11,13H,2-3H2,1H3.
What are the key properties of 5-chloro-6-hydroxy-1-(2-hydroxyethyl)-4-methylpyridin-2-one?
5-chloro-6-hydroxy-1-(2-hydroxyethyl)-4-methylpyridin-2-one has a molecular weight of 203.62 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-hydroxy-1-(2-hydroxyethyl)-4-methylpyridin-2-one is sourced from PubChem (CID 20562296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).