3-hydroxy-2-methoxy-1H-pyridin-4-one

C6H7NO3 — CID 45079798

IUPAC3-hydroxy-2-methoxy-1H-pyridin-4-one
SMILESCOc1[nH]ccc(=O)c1O
InChIInChI=1S/C6H7NO3/c1-10-6-5(9)4(8)2-3-7-6/h2-3,9H,1H3,(H,7,8)
InChIKeyWJDIGNXBILSVMC-UHFFFAOYSA-N
MW141.13 g/mol
LogP0.09
Rot. Bonds1

About 3-hydroxy-2-methoxy-1H-pyridin-4-one

3-hydroxy-2-methoxy-1H-pyridin-4-one (PubChem CID 45079798) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is 3-hydroxy-2-methoxy-1H-pyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-2-methoxy-1H-pyridin-4-one
PubChem CID45079798
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC Name3-hydroxy-2-methoxy-1H-pyridin-4-one
SMILESCOc1[nH]ccc(=O)c1O
InChIInChI=1S/C6H7NO3/c1-10-6-5(9)4(8)2-3-7-6/h2-3,9H,1H3,(H,7,8)
InChIKeyWJDIGNXBILSVMC-UHFFFAOYSA-N
XLogP0.09
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methoxy-1H-pyridin-4-one?
The IUPAC name of 3-hydroxy-2-methoxy-1H-pyridin-4-one (CID 45079798) is 3-hydroxy-2-methoxy-1H-pyridin-4-one.
What is the SMILES notation for 3-hydroxy-2-methoxy-1H-pyridin-4-one?
The canonical SMILES for 3-hydroxy-2-methoxy-1H-pyridin-4-one is COc1[nH]ccc(=O)c1O.
What is the InChIKey of 3-hydroxy-2-methoxy-1H-pyridin-4-one?
The InChIKey is WJDIGNXBILSVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3/c1-10-6-5(9)4(8)2-3-7-6/h2-3,9H,1H3,(H,7,8).
What are the key properties of 3-hydroxy-2-methoxy-1H-pyridin-4-one?
3-hydroxy-2-methoxy-1H-pyridin-4-one has a molecular weight of 141.13 g/mol, XLogP of 0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methoxy-1H-pyridin-4-one is sourced from PubChem (CID 45079798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).