6-[chloro(difluoro)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde;methoxyethane

C10H12ClF2NO4 — CID 177238826

IUPAC6-[chloro(difluoro)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde;methoxyethane
SMILESCCOC.O=Cc1c(O)cc(C(F)(F)Cl)[nH]c1=O
InChIInChI=1S/C7H4ClF2NO3.C3H8O/c8-7(9,10)5-1-4(13)3(2-12)6(14)11-5;1-3-4-2/h1-2H,(H2,11,13,14);3H2,1-2H3
InChIKeyNSOUGHMCHDJVBZ-UHFFFAOYSA-N
MW283.66 g/mol
LogP1.83
Rot. Bonds3

About 6-[chloro(difluoro)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde;methoxyethane

6-[chloro(difluoro)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde;methoxyethane (PubChem CID 177238826) has the molecular formula C10H12ClF2NO4 and a molecular weight of 283.66 g/mol. Its IUPAC name is 6-[chloro(difluoro)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde;methoxyethane.

Molecular Properties

Compound Name6-[chloro(difluoro)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde;methoxyethane
PubChem CID177238826
Molecular FormulaC10H12ClF2NO4
Molecular Weight283.66 g/mol
Exact Mass283.04
IUPAC Name6-[chloro(difluoro)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde;methoxyethane
SMILESCCOC.O=Cc1c(O)cc(C(F)(F)Cl)[nH]c1=O
InChIInChI=1S/C7H4ClF2NO3.C3H8O/c8-7(9,10)5-1-4(13)3(2-12)6(14)11-5;1-3-4-2/h1-2H,(H2,11,13,14);3H2,1-2H3
InChIKeyNSOUGHMCHDJVBZ-UHFFFAOYSA-N
XLogP1.83
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.66
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbaldehyde;ethane;methoxyethane
CID 177239458
ethyl 6-[chloro(difluoro)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate
CID 177239538
6-[chloro(difluoro)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde
CID 177238827

Frequently Asked Questions

What is the IUPAC name of 6-[chloro(difluoro)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde;methoxyethane?
The IUPAC name of 6-[chloro(difluoro)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde;methoxyethane (CID 177238826) is 6-[chloro(difluoro)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde;methoxyethane.
What is the SMILES notation for 6-[chloro(difluoro)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde;methoxyethane?
The canonical SMILES for 6-[chloro(difluoro)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde;methoxyethane is CCOC.O=Cc1c(O)cc(C(F)(F)Cl)[nH]c1=O.
What is the InChIKey of 6-[chloro(difluoro)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde;methoxyethane?
The InChIKey is NSOUGHMCHDJVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF2NO3.C3H8O/c8-7(9,10)5-1-4(13)3(2-12)6(14)11-5;1-3-4-2/h1-2H,(H2,11,13,14);3H2,1-2H3.
What are the key properties of 6-[chloro(difluoro)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde;methoxyethane?
6-[chloro(difluoro)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde;methoxyethane has a molecular weight of 283.66 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[chloro(difluoro)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde;methoxyethane is sourced from PubChem (CID 177238826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).