4-chloro-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carbaldehyde;methoxyethane

C11H14ClF2NO3 — CID 177238847

IUPAC4-chloro-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carbaldehyde;methoxyethane
SMILESCC(F)(F)c1cc(Cl)c(C=O)c(=O)[nH]1.CCOC
InChIInChI=1S/C8H6ClF2NO2.C3H8O/c1-8(10,11)6-2-5(9)4(3-13)7(14)12-6;1-3-4-2/h2-3H,1H3,(H,12,14);3H2,1-2H3
InChIKeyZMTWOKDIMNEHLW-UHFFFAOYSA-N
MW281.69 g/mol
LogP2.61
Rot. Bonds3

About 4-chloro-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carbaldehyde;methoxyethane

4-chloro-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carbaldehyde;methoxyethane (PubChem CID 177238847) has the molecular formula C11H14ClF2NO3 and a molecular weight of 281.69 g/mol. Its IUPAC name is 4-chloro-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carbaldehyde;methoxyethane.

Molecular Properties

Compound Name4-chloro-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carbaldehyde;methoxyethane
PubChem CID177238847
Molecular FormulaC11H14ClF2NO3
Molecular Weight281.69 g/mol
Exact Mass281.06
IUPAC Name4-chloro-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carbaldehyde;methoxyethane
SMILESCC(F)(F)c1cc(Cl)c(C=O)c(=O)[nH]1.CCOC
InChIInChI=1S/C8H6ClF2NO2.C3H8O/c1-8(10,11)6-2-5(9)4(3-13)7(14)12-6;1-3-4-2/h2-3H,1H3,(H,12,14);3H2,1-2H3
InChIKeyZMTWOKDIMNEHLW-UHFFFAOYSA-N
XLogP2.61
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.69
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl chloride
CID 77231446
4-chloro-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbaldehyde;ethane;methoxyethane
CID 177239458
4-chloro-6-(1,1-difluoroethyl)-3-methyl-1H-pyridin-2-one;ethyl formate
CID 177239515
4-(Difluoromethyl)-2-hydroxy-6-(trifluoromethyl)nicotinaldehyde
CID 118812457
2-(Chloromethyl)-3-(difluoromethyl)-6-hydroxypyridine-5-carboxaldehyde
CID 118815743
2-(Difluoromethyl)-6-hydroxy-3-methylpyridine-5-carboxaldehyde
CID 118820604
4-(difluoromethyl)-5-formyl-6-oxo-1H-pyridine-2-carbonitrile
CID 130076825
6-(difluoromethyl)-4-methyl-2-oxo-1H-pyridine-3-carbaldehyde
CID 130083900
6-(difluoromethyl)-3-methyl-2-oxo-1H-pyridine-4-carbaldehyde
CID 130083901
3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridine-4-carbaldehyde
CID 130083906
4-(difluoromethyl)-6-methyl-2-oxo-1H-pyridine-3-carbaldehyde
CID 130083920
5-(difluoromethyl)-6-methyl-2-oxo-1H-pyridine-3-carbaldehyde
CID 130083925

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carbaldehyde;methoxyethane?
The IUPAC name of 4-chloro-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carbaldehyde;methoxyethane (CID 177238847) is 4-chloro-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carbaldehyde;methoxyethane.
What is the SMILES notation for 4-chloro-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carbaldehyde;methoxyethane?
The canonical SMILES for 4-chloro-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carbaldehyde;methoxyethane is CC(F)(F)c1cc(Cl)c(C=O)c(=O)[nH]1.CCOC.
What is the InChIKey of 4-chloro-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carbaldehyde;methoxyethane?
The InChIKey is ZMTWOKDIMNEHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF2NO2.C3H8O/c1-8(10,11)6-2-5(9)4(3-13)7(14)12-6;1-3-4-2/h2-3H,1H3,(H,12,14);3H2,1-2H3.
What are the key properties of 4-chloro-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carbaldehyde;methoxyethane?
4-chloro-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carbaldehyde;methoxyethane has a molecular weight of 281.69 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carbaldehyde;methoxyethane is sourced from PubChem (CID 177238847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).