4-(2,6-dichlorophenyl)sulfanyl-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carbaldehyde;methanol

C15H13Cl2F2NO3S — CID 177238424

IUPAC4-(2,6-dichlorophenyl)sulfanyl-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carbaldehyde;methanol
SMILESCC(F)(F)c1cc(Sc2c(Cl)cccc2Cl)c(C=O)c(=O)[nH]1.CO
InChIInChI=1S/C14H9Cl2F2NO2S.CH4O/c1-14(17,18)11-5-10(7(6-20)13(21)19-11)22-12-8(15)3-2-4-9(12)16;1-2/h2-6H,1H3,(H,19,21);2H,1H3
InChIKeyGOBNDSWUMHFJQG-UHFFFAOYSA-N
MW396.24 g/mol
LogP4.37
Rot. Bonds4

About 4-(2,6-dichlorophenyl)sulfanyl-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carbaldehyde;methanol

4-(2,6-dichlorophenyl)sulfanyl-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carbaldehyde;methanol (PubChem CID 177238424) has the molecular formula C15H13Cl2F2NO3S and a molecular weight of 396.24 g/mol. Its IUPAC name is 4-(2,6-dichlorophenyl)sulfanyl-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carbaldehyde;methanol.

Molecular Properties

Compound Name4-(2,6-dichlorophenyl)sulfanyl-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carbaldehyde;methanol
PubChem CID177238424
Molecular FormulaC15H13Cl2F2NO3S
Molecular Weight396.24 g/mol
Exact Mass395.00
IUPAC Name4-(2,6-dichlorophenyl)sulfanyl-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carbaldehyde;methanol
SMILESCC(F)(F)c1cc(Sc2c(Cl)cccc2Cl)c(C=O)c(=O)[nH]1.CO
InChIInChI=1S/C14H9Cl2F2NO2S.CH4O/c1-14(17,18)11-5-10(7(6-20)13(21)19-11)22-12-8(15)3-2-4-9(12)16;1-2/h2-6H,1H3,(H,19,21);2H,1H3
InChIKeyGOBNDSWUMHFJQG-UHFFFAOYSA-N
XLogP4.37
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.24
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichlorophenyl)sulfanyl-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carbaldehyde;methanol?
The IUPAC name of 4-(2,6-dichlorophenyl)sulfanyl-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carbaldehyde;methanol (CID 177238424) is 4-(2,6-dichlorophenyl)sulfanyl-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carbaldehyde;methanol.
What is the SMILES notation for 4-(2,6-dichlorophenyl)sulfanyl-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carbaldehyde;methanol?
The canonical SMILES for 4-(2,6-dichlorophenyl)sulfanyl-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carbaldehyde;methanol is CC(F)(F)c1cc(Sc2c(Cl)cccc2Cl)c(C=O)c(=O)[nH]1.CO.
What is the InChIKey of 4-(2,6-dichlorophenyl)sulfanyl-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carbaldehyde;methanol?
The InChIKey is GOBNDSWUMHFJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2F2NO2S.CH4O/c1-14(17,18)11-5-10(7(6-20)13(21)19-11)22-12-8(15)3-2-4-9(12)16;1-2/h2-6H,1H3,(H,19,21);2H,1H3.
What are the key properties of 4-(2,6-dichlorophenyl)sulfanyl-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carbaldehyde;methanol?
4-(2,6-dichlorophenyl)sulfanyl-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carbaldehyde;methanol has a molecular weight of 396.24 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dichlorophenyl)sulfanyl-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carbaldehyde;methanol is sourced from PubChem (CID 177238424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).