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

C6H8ClNO2 — CID 91659167

IUPAC3-methoxy-1H-pyridin-2-one;hydrochloride
SMILESCOc1ccc[nH]c1=O.Cl
InChIInChI=1S/C6H7NO2.ClH/c1-9-5-3-2-4-7-6(5)8;/h2-4H,1H3,(H,7,8);1H
InChIKeyGJOCAQSIUXCVBX-UHFFFAOYSA-N
MW161.59 g/mol
LogP0.81
Rot. Bonds1

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

3-methoxy-1H-pyridin-2-one;hydrochloride (PubChem CID 91659167) has the molecular formula C6H8ClNO2 and a molecular weight of 161.59 g/mol. Its IUPAC name is 3-methoxy-1H-pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name3-methoxy-1H-pyridin-2-one;hydrochloride
PubChem CID91659167
Molecular FormulaC6H8ClNO2
Molecular Weight161.59 g/mol
Exact Mass161.02
IUPAC Name3-methoxy-1H-pyridin-2-one;hydrochloride
SMILESCOc1ccc[nH]c1=O.Cl
InChIInChI=1S/C6H7NO2.ClH/c1-9-5-3-2-4-7-6(5)8;/h2-4H,1H3,(H,7,8);1H
InChIKeyGJOCAQSIUXCVBX-UHFFFAOYSA-N
XLogP0.81
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.59
LogP ≤ 50.81
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;hydrochloride?
The IUPAC name of 3-methoxy-1H-pyridin-2-one;hydrochloride (CID 91659167) is 3-methoxy-1H-pyridin-2-one;hydrochloride.
What is the SMILES notation for 3-methoxy-1H-pyridin-2-one;hydrochloride?
The canonical SMILES for 3-methoxy-1H-pyridin-2-one;hydrochloride is COc1ccc[nH]c1=O.Cl.
What is the InChIKey of 3-methoxy-1H-pyridin-2-one;hydrochloride?
The InChIKey is GJOCAQSIUXCVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2.ClH/c1-9-5-3-2-4-7-6(5)8;/h2-4H,1H3,(H,7,8);1H.
What are the key properties of 3-methoxy-1H-pyridin-2-one;hydrochloride?
3-methoxy-1H-pyridin-2-one;hydrochloride has a molecular weight of 161.59 g/mol, XLogP of 0.81, 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;hydrochloride is sourced from PubChem (CID 91659167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).