3-methoxy-3H-pyridin-6-one

C6H7NO2 — CID 85437367

IUPAC3-methoxy-3H-pyridin-6-one
SMILESCOC1C=CC(=O)N=C1
InChIInChI=1S/C6H7NO2/c1-9-5-2-3-6(8)7-4-5/h2-5H,1H3
InChIKeyDLKBOSFFIIVURL-UHFFFAOYSA-N
MW125.13 g/mol
LogP0.17
Rot. Bonds1

About 3-methoxy-3H-pyridin-6-one

3-methoxy-3H-pyridin-6-one (PubChem CID 85437367) has the molecular formula C6H7NO2 and a molecular weight of 125.13 g/mol. Its IUPAC name is 3-methoxy-3H-pyridin-6-one.

Molecular Properties

Compound Name3-methoxy-3H-pyridin-6-one
PubChem CID85437367
Molecular FormulaC6H7NO2
Molecular Weight125.13 g/mol
Exact Mass125.05
IUPAC Name3-methoxy-3H-pyridin-6-one
SMILESCOC1C=CC(=O)N=C1
InChIInChI=1S/C6H7NO2/c1-9-5-2-3-6(8)7-4-5/h2-5H,1H3
InChIKeyDLKBOSFFIIVURL-UHFFFAOYSA-N
XLogP0.17
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxycyclohexa-2,5-dien-1-one
CID 12917213
6-oxo-3H-pyridine-3-carbonitrile
CID 71303740
4-methoxy-2-nitrocyclohexa-2,5-dien-1-one
CID 100936302
4-methoxy-3-methyl-4H-imidazol-2-one
CID 173057238
7-methoxy-3-methyl-7H-chromeno[4,3-c]pyrazol-4-one
CID 178188990
methyl 3-bromo-6-oxo-3H-pyridine-4-carboxylate
CID 74418441
2,3-dimethyl-8aH-pyrido[2,3-b]pyrazin-6-one
CID 75089622
cyclohexa-2,5-diene-1,4-dione;methoxymethane
CID 66691489
methyl 4-oxo-3H-pyridine-3-carboxylate
CID 70478901
3-bromo-3H-pyridazin-6-one
CID 78174474
3-methoxy-2-oxabicyclo[2.2.1]hept-5-en-7-one
CID 130037538
(2,5-dioxopyrrol-1-yl) carbonochloridate
CID 87560005

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3H-pyridin-6-one?
The IUPAC name of 3-methoxy-3H-pyridin-6-one (CID 85437367) is 3-methoxy-3H-pyridin-6-one.
What is the SMILES notation for 3-methoxy-3H-pyridin-6-one?
The canonical SMILES for 3-methoxy-3H-pyridin-6-one is COC1C=CC(=O)N=C1.
What is the InChIKey of 3-methoxy-3H-pyridin-6-one?
The InChIKey is DLKBOSFFIIVURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2/c1-9-5-2-3-6(8)7-4-5/h2-5H,1H3.
What are the key properties of 3-methoxy-3H-pyridin-6-one?
3-methoxy-3H-pyridin-6-one has a molecular weight of 125.13 g/mol, XLogP of 0.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3H-pyridin-6-one is sourced from PubChem (CID 85437367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).