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

C15H11ClF2N2O3 — CID 141178493

IUPAC4-acetamido-3-chloro-6-(2,4-difluoro-3-methylphenyl)pyridine-2-carboxylic acid
SMILESCC(=O)Nc1cc(-c2ccc(F)c(C)c2F)nc(C(=O)O)c1Cl
InChIInChI=1S/C15H11ClF2N2O3/c1-6-9(17)4-3-8(13(6)18)10-5-11(19-7(2)21)12(16)14(20-10)15(22)23/h3-5H,1-2H3,(H,22,23)(H,19,20,21)
InChIKeyXVBHPCQHGBGIJV-UHFFFAOYSA-N
MW340.71 g/mol
LogP3.65
Rot. Bonds3

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

4-acetamido-3-chloro-6-(2,4-difluoro-3-methylphenyl)pyridine-2-carboxylic acid (PubChem CID 141178493) has the molecular formula C15H11ClF2N2O3 and a molecular weight of 340.71 g/mol. Its IUPAC name is 4-acetamido-3-chloro-6-(2,4-difluoro-3-methylphenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-acetamido-3-chloro-6-(2,4-difluoro-3-methylphenyl)pyridine-2-carboxylic acid
PubChem CID141178493
Molecular FormulaC15H11ClF2N2O3
Molecular Weight340.71 g/mol
Exact Mass340.04
IUPAC Name4-acetamido-3-chloro-6-(2,4-difluoro-3-methylphenyl)pyridine-2-carboxylic acid
SMILESCC(=O)Nc1cc(-c2ccc(F)c(C)c2F)nc(C(=O)O)c1Cl
InChIInChI=1S/C15H11ClF2N2O3/c1-6-9(17)4-3-8(13(6)18)10-5-11(19-7(2)21)12(16)14(20-10)15(22)23/h3-5H,1-2H3,(H,22,23)(H,19,20,21)
InChIKeyXVBHPCQHGBGIJV-UHFFFAOYSA-N
XLogP3.65
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.71
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-acetamido-3-chloro-6-(2,4-difluoro-3-methylphenyl)pyridine-2-carboxylic acid?
The IUPAC name of 4-acetamido-3-chloro-6-(2,4-difluoro-3-methylphenyl)pyridine-2-carboxylic acid (CID 141178493) is 4-acetamido-3-chloro-6-(2,4-difluoro-3-methylphenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-acetamido-3-chloro-6-(2,4-difluoro-3-methylphenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-acetamido-3-chloro-6-(2,4-difluoro-3-methylphenyl)pyridine-2-carboxylic acid is CC(=O)Nc1cc(-c2ccc(F)c(C)c2F)nc(C(=O)O)c1Cl.
What is the InChIKey of 4-acetamido-3-chloro-6-(2,4-difluoro-3-methylphenyl)pyridine-2-carboxylic acid?
The InChIKey is XVBHPCQHGBGIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2N2O3/c1-6-9(17)4-3-8(13(6)18)10-5-11(19-7(2)21)12(16)14(20-10)15(22)23/h3-5H,1-2H3,(H,22,23)(H,19,20,21).
What are the key properties of 4-acetamido-3-chloro-6-(2,4-difluoro-3-methylphenyl)pyridine-2-carboxylic acid?
4-acetamido-3-chloro-6-(2,4-difluoro-3-methylphenyl)pyridine-2-carboxylic acid has a molecular weight of 340.71 g/mol, XLogP of 3.65, 3 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-(2,4-difluoro-3-methylphenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 141178493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).