6-chloro-4-(methoxymethyl)-1H-pyridin-2-one

C7H8ClNO2 — CID 123912022

IUPAC6-chloro-4-(methoxymethyl)-1H-pyridin-2-one
SMILESCOCc1cc(Cl)[nH]c(=O)c1
InChIInChI=1S/C7H8ClNO2/c1-11-4-5-2-6(8)9-7(10)3-5/h2-3H,4H2,1H3,(H,9,10)
InChIKeyWXZCTNYMYQQDKW-UHFFFAOYSA-N
MW173.60 g/mol
LogP1.17
Rot. Bonds2

About 6-chloro-4-(methoxymethyl)-1H-pyridin-2-one

6-chloro-4-(methoxymethyl)-1H-pyridin-2-one (PubChem CID 123912022) has the molecular formula C7H8ClNO2 and a molecular weight of 173.60 g/mol. Its IUPAC name is 6-chloro-4-(methoxymethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-chloro-4-(methoxymethyl)-1H-pyridin-2-one
PubChem CID123912022
Molecular FormulaC7H8ClNO2
Molecular Weight173.60 g/mol
Exact Mass173.02
IUPAC Name6-chloro-4-(methoxymethyl)-1H-pyridin-2-one
SMILESCOCc1cc(Cl)[nH]c(=O)c1
InChIInChI=1S/C7H8ClNO2/c1-11-4-5-2-6(8)9-7(10)3-5/h2-3H,4H2,1H3,(H,9,10)
InChIKeyWXZCTNYMYQQDKW-UHFFFAOYSA-N
XLogP1.17
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.60
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

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4-(3-chloro-4-fluorophenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one
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2-(methoxymethyl)-4-methyl-6-oxo-1H-pyridine-3-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(methoxymethyl)-1H-pyridin-2-one?
The IUPAC name of 6-chloro-4-(methoxymethyl)-1H-pyridin-2-one (CID 123912022) is 6-chloro-4-(methoxymethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-chloro-4-(methoxymethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-chloro-4-(methoxymethyl)-1H-pyridin-2-one is COCc1cc(Cl)[nH]c(=O)c1.
What is the InChIKey of 6-chloro-4-(methoxymethyl)-1H-pyridin-2-one?
The InChIKey is WXZCTNYMYQQDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO2/c1-11-4-5-2-6(8)9-7(10)3-5/h2-3H,4H2,1H3,(H,9,10).
What are the key properties of 6-chloro-4-(methoxymethyl)-1H-pyridin-2-one?
6-chloro-4-(methoxymethyl)-1H-pyridin-2-one has a molecular weight of 173.60 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(methoxymethyl)-1H-pyridin-2-one is sourced from PubChem (CID 123912022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).