3-methoxy-1H-pyridin-2-one;hydrate

C6H9NO3 — CID 90189833

IUPAC3-methoxy-1H-pyridin-2-one;hydrate
SMILESCOc1ccc[nH]c1=O.O
InChIInChI=1S/C6H7NO2.H2O/c1-9-5-3-2-4-7-6(5)8;/h2-4H,1H3,(H,7,8);1H2
InChIKeyUGFCINSIEIAISO-UHFFFAOYSA-N
MW143.14 g/mol
LogP-0.44
Rot. Bonds1

About 3-methoxy-1H-pyridin-2-one;hydrate

3-methoxy-1H-pyridin-2-one;hydrate (PubChem CID 90189833) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 3-methoxy-1H-pyridin-2-one;hydrate.

Molecular Properties

Compound Name3-methoxy-1H-pyridin-2-one;hydrate
PubChem CID90189833
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name3-methoxy-1H-pyridin-2-one;hydrate
SMILESCOc1ccc[nH]c1=O.O
InChIInChI=1S/C6H7NO2.H2O/c1-9-5-3-2-4-7-6(5)8;/h2-4H,1H3,(H,7,8);1H2
InChIKeyUGFCINSIEIAISO-UHFFFAOYSA-N
XLogP-0.44
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1H-pyridin-2-one;hydrate?
The IUPAC name of 3-methoxy-1H-pyridin-2-one;hydrate (CID 90189833) is 3-methoxy-1H-pyridin-2-one;hydrate.
What is the SMILES notation for 3-methoxy-1H-pyridin-2-one;hydrate?
The canonical SMILES for 3-methoxy-1H-pyridin-2-one;hydrate is COc1ccc[nH]c1=O.O.
What is the InChIKey of 3-methoxy-1H-pyridin-2-one;hydrate?
The InChIKey is UGFCINSIEIAISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2.H2O/c1-9-5-3-2-4-7-6(5)8;/h2-4H,1H3,(H,7,8);1H2.
What are the key properties of 3-methoxy-1H-pyridin-2-one;hydrate?
3-methoxy-1H-pyridin-2-one;hydrate has a molecular weight of 143.14 g/mol, XLogP of -0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1H-pyridin-2-one;hydrate is sourced from PubChem (CID 90189833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).