(5-hydroxy-3-methyl-2-pyridinyl) acetate

C8H9NO3 — CID 175828431

IUPAC(5-hydroxy-3-methyl-2-pyridinyl) acetate
SMILESCC(=O)Oc1ncc(O)cc1C
InChIInChI=1S/C8H9NO3/c1-5-3-7(11)4-9-8(5)12-6(2)10/h3-4,11H,1-2H3
InChIKeyUMCNHBBDIZASOS-UHFFFAOYSA-N
MW167.16 g/mol
LogP1.02
Rot. Bonds1

About (5-hydroxy-3-methyl-2-pyridinyl) acetate

(5-hydroxy-3-methyl-2-pyridinyl) acetate (PubChem CID 175828431) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is (5-hydroxy-3-methyl-2-pyridinyl) acetate.

Molecular Properties

Compound Name(5-hydroxy-3-methyl-2-pyridinyl) acetate
PubChem CID175828431
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name(5-hydroxy-3-methyl-2-pyridinyl) acetate
SMILESCC(=O)Oc1ncc(O)cc1C
InChIInChI=1S/C8H9NO3/c1-5-3-7(11)4-9-8(5)12-6(2)10/h3-4,11H,1-2H3
InChIKeyUMCNHBBDIZASOS-UHFFFAOYSA-N
XLogP1.02
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-3-methyl-2-pyridinyl) acetate?
The IUPAC name of (5-hydroxy-3-methyl-2-pyridinyl) acetate (CID 175828431) is (5-hydroxy-3-methyl-2-pyridinyl) acetate.
What is the SMILES notation for (5-hydroxy-3-methyl-2-pyridinyl) acetate?
The canonical SMILES for (5-hydroxy-3-methyl-2-pyridinyl) acetate is CC(=O)Oc1ncc(O)cc1C.
What is the InChIKey of (5-hydroxy-3-methyl-2-pyridinyl) acetate?
The InChIKey is UMCNHBBDIZASOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-5-3-7(11)4-9-8(5)12-6(2)10/h3-4,11H,1-2H3.
What are the key properties of (5-hydroxy-3-methyl-2-pyridinyl) acetate?
(5-hydroxy-3-methyl-2-pyridinyl) acetate has a molecular weight of 167.16 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-3-methyl-2-pyridinyl) acetate is sourced from PubChem (CID 175828431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).