5-chloro-3-hydroxy-1-methylpyridin-2-one

C6H6ClNO2 — CID 70037394

IUPAC5-chloro-3-hydroxy-1-methylpyridin-2-one
SMILESCn1cc(Cl)cc(O)c1=O
InChIInChI=1S/C6H6ClNO2/c1-8-3-4(7)2-5(9)6(8)10/h2-3,9H,1H3
InChIKeySPKPLAWANWTQHU-UHFFFAOYSA-N
MW159.57 g/mol
LogP0.74
Rot. Bonds

About 5-chloro-3-hydroxy-1-methylpyridin-2-one

5-chloro-3-hydroxy-1-methylpyridin-2-one (PubChem CID 70037394) has the molecular formula C6H6ClNO2 and a molecular weight of 159.57 g/mol. Its IUPAC name is 5-chloro-3-hydroxy-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-chloro-3-hydroxy-1-methylpyridin-2-one
PubChem CID70037394
Molecular FormulaC6H6ClNO2
Molecular Weight159.57 g/mol
Exact Mass159.01
IUPAC Name5-chloro-3-hydroxy-1-methylpyridin-2-one
SMILESCn1cc(Cl)cc(O)c1=O
InChIInChI=1S/C6H6ClNO2/c1-8-3-4(7)2-5(9)6(8)10/h2-3,9H,1H3
InChIKeySPKPLAWANWTQHU-UHFFFAOYSA-N
XLogP0.74
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.57
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 88026
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CID 13336726
CID 59563395
CID 59563395
CID 69140048
CID 69140048
CID 70036929
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CID 143136788
CID 143136788
CID 144743428
CID 144743428
CID 153658334
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CID 162500825
CID 162500825

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-hydroxy-1-methylpyridin-2-one?
The IUPAC name of 5-chloro-3-hydroxy-1-methylpyridin-2-one (CID 70037394) is 5-chloro-3-hydroxy-1-methylpyridin-2-one.
What is the SMILES notation for 5-chloro-3-hydroxy-1-methylpyridin-2-one?
The canonical SMILES for 5-chloro-3-hydroxy-1-methylpyridin-2-one is Cn1cc(Cl)cc(O)c1=O.
What is the InChIKey of 5-chloro-3-hydroxy-1-methylpyridin-2-one?
The InChIKey is SPKPLAWANWTQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO2/c1-8-3-4(7)2-5(9)6(8)10/h2-3,9H,1H3.
What are the key properties of 5-chloro-3-hydroxy-1-methylpyridin-2-one?
5-chloro-3-hydroxy-1-methylpyridin-2-one has a molecular weight of 159.57 g/mol, XLogP of 0.74, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-hydroxy-1-methylpyridin-2-one is sourced from PubChem (CID 70037394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).