4-acetamido-3-chloro-6-(2,3-difluoro-4-trimethylsilylphenyl)pyridine-2-carboxylic acid

C17H17ClF2N2O3Si — CID 141417503

IUPAC4-acetamido-3-chloro-6-(2,3-difluoro-4-trimethylsilylphenyl)pyridine-2-carboxylic acid
SMILESCC(=O)Nc1cc(-c2ccc([Si](C)(C)C)c(F)c2F)nc(C(=O)O)c1Cl
InChIInChI=1S/C17H17ClF2N2O3Si/c1-8(23)21-11-7-10(22-16(13(11)18)17(24)25)9-5-6-12(26(2,3)4)15(20)14(9)19/h5-7H,1-4H3,(H,24,25)(H,21,22,23)
InChIKeyVTAGEPISFOBCRB-UHFFFAOYSA-N
MW398.87 g/mol
LogP3.88
Rot. Bonds4

About 4-acetamido-3-chloro-6-(2,3-difluoro-4-trimethylsilylphenyl)pyridine-2-carboxylic acid

4-acetamido-3-chloro-6-(2,3-difluoro-4-trimethylsilylphenyl)pyridine-2-carboxylic acid (PubChem CID 141417503) has the molecular formula C17H17ClF2N2O3Si and a molecular weight of 398.87 g/mol. Its IUPAC name is 4-acetamido-3-chloro-6-(2,3-difluoro-4-trimethylsilylphenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-acetamido-3-chloro-6-(2,3-difluoro-4-trimethylsilylphenyl)pyridine-2-carboxylic acid
PubChem CID141417503
Molecular FormulaC17H17ClF2N2O3Si
Molecular Weight398.87 g/mol
Exact Mass398.07
IUPAC Name4-acetamido-3-chloro-6-(2,3-difluoro-4-trimethylsilylphenyl)pyridine-2-carboxylic acid
SMILESCC(=O)Nc1cc(-c2ccc([Si](C)(C)C)c(F)c2F)nc(C(=O)O)c1Cl
InChIInChI=1S/C17H17ClF2N2O3Si/c1-8(23)21-11-7-10(22-16(13(11)18)17(24)25)9-5-6-12(26(2,3)4)15(20)14(9)19/h5-7H,1-4H3,(H,24,25)(H,21,22,23)
InChIKeyVTAGEPISFOBCRB-UHFFFAOYSA-N
XLogP3.88
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.87
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-acetamido-3-chloro-6-(2,3-difluoro-4-trimethylsilylphenyl)pyridine-2-carboxylic acid?
The IUPAC name of 4-acetamido-3-chloro-6-(2,3-difluoro-4-trimethylsilylphenyl)pyridine-2-carboxylic acid (CID 141417503) is 4-acetamido-3-chloro-6-(2,3-difluoro-4-trimethylsilylphenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-acetamido-3-chloro-6-(2,3-difluoro-4-trimethylsilylphenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-acetamido-3-chloro-6-(2,3-difluoro-4-trimethylsilylphenyl)pyridine-2-carboxylic acid is CC(=O)Nc1cc(-c2ccc([Si](C)(C)C)c(F)c2F)nc(C(=O)O)c1Cl.
What is the InChIKey of 4-acetamido-3-chloro-6-(2,3-difluoro-4-trimethylsilylphenyl)pyridine-2-carboxylic acid?
The InChIKey is VTAGEPISFOBCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF2N2O3Si/c1-8(23)21-11-7-10(22-16(13(11)18)17(24)25)9-5-6-12(26(2,3)4)15(20)14(9)19/h5-7H,1-4H3,(H,24,25)(H,21,22,23).
What are the key properties of 4-acetamido-3-chloro-6-(2,3-difluoro-4-trimethylsilylphenyl)pyridine-2-carboxylic acid?
4-acetamido-3-chloro-6-(2,3-difluoro-4-trimethylsilylphenyl)pyridine-2-carboxylic acid has a molecular weight of 398.87 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-3-chloro-6-(2,3-difluoro-4-trimethylsilylphenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 141417503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).