4-(2,6-dichlorophenyl)sulfanyl-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carboxylic acid

C14H9Cl2F2NO3S — CID 177238670

IUPAC4-(2,6-dichlorophenyl)sulfanyl-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCC(F)(F)c1cc(Sc2c(Cl)cccc2Cl)c(C(=O)O)c(=O)[nH]1
InChIInChI=1S/C14H9Cl2F2NO3S/c1-14(17,18)9-5-8(10(13(21)22)12(20)19-9)23-11-6(15)3-2-4-7(11)16/h2-5H,1H3,(H,19,20)(H,21,22)
InChIKeyZQTYVGVYCCBBJG-UHFFFAOYSA-N
MW380.20 g/mol
LogP4.64
Rot. Bonds4

About 4-(2,6-dichlorophenyl)sulfanyl-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carboxylic acid

4-(2,6-dichlorophenyl)sulfanyl-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 177238670) has the molecular formula C14H9Cl2F2NO3S and a molecular weight of 380.20 g/mol. Its IUPAC name is 4-(2,6-dichlorophenyl)sulfanyl-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2,6-dichlorophenyl)sulfanyl-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID177238670
Molecular FormulaC14H9Cl2F2NO3S
Molecular Weight380.20 g/mol
Exact Mass378.96
IUPAC Name4-(2,6-dichlorophenyl)sulfanyl-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCC(F)(F)c1cc(Sc2c(Cl)cccc2Cl)c(C(=O)O)c(=O)[nH]1
InChIInChI=1S/C14H9Cl2F2NO3S/c1-14(17,18)9-5-8(10(13(21)22)12(20)19-9)23-11-6(15)3-2-4-7(11)16/h2-5H,1H3,(H,19,20)(H,21,22)
InChIKeyZQTYVGVYCCBBJG-UHFFFAOYSA-N
XLogP4.64
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.20
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2,6-dichlorophenyl)sulfanyl-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichlorophenyl)sulfanyl-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 4-(2,6-dichlorophenyl)sulfanyl-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carboxylic acid (CID 177238670) is 4-(2,6-dichlorophenyl)sulfanyl-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(2,6-dichlorophenyl)sulfanyl-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 4-(2,6-dichlorophenyl)sulfanyl-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carboxylic acid is CC(F)(F)c1cc(Sc2c(Cl)cccc2Cl)c(C(=O)O)c(=O)[nH]1.
What is the InChIKey of 4-(2,6-dichlorophenyl)sulfanyl-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is ZQTYVGVYCCBBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2F2NO3S/c1-14(17,18)9-5-8(10(13(21)22)12(20)19-9)23-11-6(15)3-2-4-7(11)16/h2-5H,1H3,(H,19,20)(H,21,22).
What are the key properties of 4-(2,6-dichlorophenyl)sulfanyl-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carboxylic acid?
4-(2,6-dichlorophenyl)sulfanyl-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 380.20 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 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-carboxylic acid is sourced from PubChem (CID 177238670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).