6-[chloro(difluoro)methyl]-1-(2-methoxyethyl)pyridin-2-one

C9H10ClF2NO2 — CID 141218768

IUPAC6-[chloro(difluoro)methyl]-1-(2-methoxyethyl)pyridin-2-one
SMILESCOCCn1c(C(F)(F)Cl)cccc1=O
InChIInChI=1S/C9H10ClF2NO2/c1-15-6-5-13-7(9(10,11)12)3-2-4-8(13)14/h2-4H,5-6H2,1H3
InChIKeyANCJCCDEEATKDT-UHFFFAOYSA-N
MW237.63 g/mol
LogP1.78
Rot. Bonds4

About 6-[chloro(difluoro)methyl]-1-(2-methoxyethyl)pyridin-2-one

6-[chloro(difluoro)methyl]-1-(2-methoxyethyl)pyridin-2-one (PubChem CID 141218768) has the molecular formula C9H10ClF2NO2 and a molecular weight of 237.63 g/mol. Its IUPAC name is 6-[chloro(difluoro)methyl]-1-(2-methoxyethyl)pyridin-2-one.

Molecular Properties

Compound Name6-[chloro(difluoro)methyl]-1-(2-methoxyethyl)pyridin-2-one
PubChem CID141218768
Molecular FormulaC9H10ClF2NO2
Molecular Weight237.63 g/mol
Exact Mass237.04
IUPAC Name6-[chloro(difluoro)methyl]-1-(2-methoxyethyl)pyridin-2-one
SMILESCOCCn1c(C(F)(F)Cl)cccc1=O
InChIInChI=1S/C9H10ClF2NO2/c1-15-6-5-13-7(9(10,11)12)3-2-4-8(13)14/h2-4H,5-6H2,1H3
InChIKeyANCJCCDEEATKDT-UHFFFAOYSA-N
XLogP1.78
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.63
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[chloro(difluoro)methyl]-1-(2-methoxyethyl)pyridin-2-one?
The IUPAC name of 6-[chloro(difluoro)methyl]-1-(2-methoxyethyl)pyridin-2-one (CID 141218768) is 6-[chloro(difluoro)methyl]-1-(2-methoxyethyl)pyridin-2-one.
What is the SMILES notation for 6-[chloro(difluoro)methyl]-1-(2-methoxyethyl)pyridin-2-one?
The canonical SMILES for 6-[chloro(difluoro)methyl]-1-(2-methoxyethyl)pyridin-2-one is COCCn1c(C(F)(F)Cl)cccc1=O.
What is the InChIKey of 6-[chloro(difluoro)methyl]-1-(2-methoxyethyl)pyridin-2-one?
The InChIKey is ANCJCCDEEATKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2NO2/c1-15-6-5-13-7(9(10,11)12)3-2-4-8(13)14/h2-4H,5-6H2,1H3.
What are the key properties of 6-[chloro(difluoro)methyl]-1-(2-methoxyethyl)pyridin-2-one?
6-[chloro(difluoro)methyl]-1-(2-methoxyethyl)pyridin-2-one has a molecular weight of 237.63 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[chloro(difluoro)methyl]-1-(2-methoxyethyl)pyridin-2-one is sourced from PubChem (CID 141218768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).