1-(5-hydroxy-6-methoxy-3-pyridinyl)ethanone

C8H9NO3 — CID 89468960

IUPAC1-(5-hydroxy-6-methoxy-3-pyridinyl)ethanone
SMILESCOc1ncc(C(C)=O)cc1O
InChIInChI=1S/C8H9NO3/c1-5(10)6-3-7(11)8(12-2)9-4-6/h3-4,11H,1-2H3
InChIKeyWDSIKSIBCYRGNR-UHFFFAOYSA-N
MW167.16 g/mol
LogP1.00
Rot. Bonds2

About 1-(5-hydroxy-6-methoxy-3-pyridinyl)ethanone

1-(5-hydroxy-6-methoxy-3-pyridinyl)ethanone (PubChem CID 89468960) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 1-(5-hydroxy-6-methoxy-3-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(5-hydroxy-6-methoxy-3-pyridinyl)ethanone
PubChem CID89468960
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name1-(5-hydroxy-6-methoxy-3-pyridinyl)ethanone
SMILESCOc1ncc(C(C)=O)cc1O
InChIInChI=1S/C8H9NO3/c1-5(10)6-3-7(11)8(12-2)9-4-6/h3-4,11H,1-2H3
InChIKeyWDSIKSIBCYRGNR-UHFFFAOYSA-N
XLogP1.00
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-6-methoxy-3-pyridinyl)ethanone?
The IUPAC name of 1-(5-hydroxy-6-methoxy-3-pyridinyl)ethanone (CID 89468960) is 1-(5-hydroxy-6-methoxy-3-pyridinyl)ethanone.
What is the SMILES notation for 1-(5-hydroxy-6-methoxy-3-pyridinyl)ethanone?
The canonical SMILES for 1-(5-hydroxy-6-methoxy-3-pyridinyl)ethanone is COc1ncc(C(C)=O)cc1O.
What is the InChIKey of 1-(5-hydroxy-6-methoxy-3-pyridinyl)ethanone?
The InChIKey is WDSIKSIBCYRGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-5(10)6-3-7(11)8(12-2)9-4-6/h3-4,11H,1-2H3.
What are the key properties of 1-(5-hydroxy-6-methoxy-3-pyridinyl)ethanone?
1-(5-hydroxy-6-methoxy-3-pyridinyl)ethanone has a molecular weight of 167.16 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-6-methoxy-3-pyridinyl)ethanone is sourced from PubChem (CID 89468960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).