2,3-dimethoxy-1H-pyridin-4-one

C7H9NO3 — CID 10855699

IUPAC2,3-dimethoxy-1H-pyridin-4-one
SMILESCOc1[nH]ccc(=O)c1OC
InChIInChI=1S/C7H9NO3/c1-10-6-5(9)3-4-8-7(6)11-2/h3-4H,1-2H3,(H,8,9)
InChIKeySZIDKNSBVIZOLV-UHFFFAOYSA-N
MW155.15 g/mol
LogP0.39
Rot. Bonds2

About 2,3-dimethoxy-1H-pyridin-4-one

2,3-dimethoxy-1H-pyridin-4-one (PubChem CID 10855699) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 2,3-dimethoxy-1H-pyridin-4-one.

Molecular Properties

Compound Name2,3-dimethoxy-1H-pyridin-4-one
PubChem CID10855699
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name2,3-dimethoxy-1H-pyridin-4-one
SMILESCOc1[nH]ccc(=O)c1OC
InChIInChI=1S/C7H9NO3/c1-10-6-5(9)3-4-8-7(6)11-2/h3-4H,1-2H3,(H,8,9)
InChIKeySZIDKNSBVIZOLV-UHFFFAOYSA-N
XLogP0.39
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methoxypyridin-4-OL
CID 186643
3-Methoxy-2-methyl-1H-pyridin-4-one
CID 323424
2-Fluoro-4-hydroxy-3-methoxypyridine
CID 69019216
2-Bromo-3-methoxypyridin-4-ol
CID 49761591
3-Methoxy-1-methylpyridin-4-one
CID 21018864
3-Fluoro-4-hydroxy-2-methoxypyridine
CID 74890647
2-Ethoxypyridin-4(1H)-one
CID 55288265
3-ethoxy-2-fluoro-1H-pyridin-4-one
CID 91618560
2-methoxy-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 118849825
2-fluoro-5-methoxy-1H-pyridin-4-one
CID 129918534
2-methoxy-5-(trifluoromethoxy)-1H-pyridin-4-one
CID 130092755
2-Ethoxy-3-fluoropyridin-4-ol
CID 131099653

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-1H-pyridin-4-one?
The IUPAC name of 2,3-dimethoxy-1H-pyridin-4-one (CID 10855699) is 2,3-dimethoxy-1H-pyridin-4-one.
What is the SMILES notation for 2,3-dimethoxy-1H-pyridin-4-one?
The canonical SMILES for 2,3-dimethoxy-1H-pyridin-4-one is COc1[nH]ccc(=O)c1OC.
What is the InChIKey of 2,3-dimethoxy-1H-pyridin-4-one?
The InChIKey is SZIDKNSBVIZOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-10-6-5(9)3-4-8-7(6)11-2/h3-4H,1-2H3,(H,8,9).
What are the key properties of 2,3-dimethoxy-1H-pyridin-4-one?
2,3-dimethoxy-1H-pyridin-4-one has a molecular weight of 155.15 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-1H-pyridin-4-one is sourced from PubChem (CID 10855699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).