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

C6H7NO2 — CID 817715

IUPAC4-methoxy-1H-pyridin-2-one
SMILESCOc1cc[nH]c(=O)c1
InChIInChI=1S/C6H7NO2/c1-9-5-2-3-7-6(8)4-5/h2-4H,1H3,(H,7,8)
InChIKeyBZIUQZRSHNDQTH-UHFFFAOYSA-N
MW125.13 g/mol
LogP0.38
Rot. Bonds1

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

4-methoxy-1H-pyridin-2-one (PubChem CID 817715) has the molecular formula C6H7NO2 and a molecular weight of 125.13 g/mol. Its IUPAC name is 4-methoxy-1H-pyridin-2-one.

Molecular Properties

Compound Name4-methoxy-1H-pyridin-2-one
PubChem CID817715
Molecular FormulaC6H7NO2
Molecular Weight125.13 g/mol
Exact Mass125.05
IUPAC Name4-methoxy-1H-pyridin-2-one
SMILESCOc1cc[nH]c(=O)c1
InChIInChI=1S/C6H7NO2/c1-9-5-2-3-7-6(8)4-5/h2-4H,1H3,(H,7,8)
InChIKeyBZIUQZRSHNDQTH-UHFFFAOYSA-N
XLogP0.38
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Methoxypyridin-2-ol
CID 12279833
5-Bromo-4-methoxypyridin-2-ol
CID 71695405
3-Fluoro-5-methoxypyridin-2-ol
CID 91539998
4-methoxy-N-methylpyridone-2
CID 349950
5-Ethoxypyridin-2(1H)-one
CID 89406623
Methoxy-methylpyridinone
CID 124087879
3-fluoro-4-methoxy-1H-pyridin-2-one
CID 91568331
5-(fluoromethoxy)-1H-pyridin-2-one
CID 141503117
4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyridin-2-one
CID 145437205
4-(2,2-difluoropropoxy)-1H-pyridin-2-one
CID 149530046
4-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one
CID 153651082
4-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-1H-pyridin-2-one
CID 162558728

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1H-pyridin-2-one?
The IUPAC name of 4-methoxy-1H-pyridin-2-one (CID 817715) is 4-methoxy-1H-pyridin-2-one.
What is the SMILES notation for 4-methoxy-1H-pyridin-2-one?
The canonical SMILES for 4-methoxy-1H-pyridin-2-one is COc1cc[nH]c(=O)c1.
What is the InChIKey of 4-methoxy-1H-pyridin-2-one?
The InChIKey is BZIUQZRSHNDQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2/c1-9-5-2-3-7-6(8)4-5/h2-4H,1H3,(H,7,8).
What are the key properties of 4-methoxy-1H-pyridin-2-one?
4-methoxy-1H-pyridin-2-one has a molecular weight of 125.13 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1H-pyridin-2-one is sourced from PubChem (CID 817715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).