4-acetamido-3-chloro-5-(2,4-difluoro-3-methoxyphenyl)pyridine-2-carboxylic acid

C15H11ClF2N2O4 — CID 68808781

IUPAC4-acetamido-3-chloro-5-(2,4-difluoro-3-methoxyphenyl)pyridine-2-carboxylic acid
SMILESCOc1c(F)ccc(-c2cnc(C(=O)O)c(Cl)c2NC(C)=O)c1F
InChIInChI=1S/C15H11ClF2N2O4/c1-6(21)20-12-8(5-19-13(10(12)16)15(22)23)7-3-4-9(17)14(24-2)11(7)18/h3-5H,1-2H3,(H,22,23)(H,19,20,21)
InChIKeyCYQDYSZMCFENFI-UHFFFAOYSA-N
MW356.71 g/mol
LogP3.35
Rot. Bonds4

About 4-acetamido-3-chloro-5-(2,4-difluoro-3-methoxyphenyl)pyridine-2-carboxylic acid

4-acetamido-3-chloro-5-(2,4-difluoro-3-methoxyphenyl)pyridine-2-carboxylic acid (PubChem CID 68808781) has the molecular formula C15H11ClF2N2O4 and a molecular weight of 356.71 g/mol. Its IUPAC name is 4-acetamido-3-chloro-5-(2,4-difluoro-3-methoxyphenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-acetamido-3-chloro-5-(2,4-difluoro-3-methoxyphenyl)pyridine-2-carboxylic acid
PubChem CID68808781
Molecular FormulaC15H11ClF2N2O4
Molecular Weight356.71 g/mol
Exact Mass356.04
IUPAC Name4-acetamido-3-chloro-5-(2,4-difluoro-3-methoxyphenyl)pyridine-2-carboxylic acid
SMILESCOc1c(F)ccc(-c2cnc(C(=O)O)c(Cl)c2NC(C)=O)c1F
InChIInChI=1S/C15H11ClF2N2O4/c1-6(21)20-12-8(5-19-13(10(12)16)15(22)23)7-3-4-9(17)14(24-2)11(7)18/h3-5H,1-2H3,(H,22,23)(H,19,20,21)
InChIKeyCYQDYSZMCFENFI-UHFFFAOYSA-N
XLogP3.35
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.71
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-acetamido-3-chloro-5-(2,4-difluoro-3-methoxyphenyl)pyridine-2-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-acetamido-3-chloro-5-(2,4-difluoro-3-methoxyphenyl)pyridine-2-carboxylic acid?
The IUPAC name of 4-acetamido-3-chloro-5-(2,4-difluoro-3-methoxyphenyl)pyridine-2-carboxylic acid (CID 68808781) is 4-acetamido-3-chloro-5-(2,4-difluoro-3-methoxyphenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-acetamido-3-chloro-5-(2,4-difluoro-3-methoxyphenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-acetamido-3-chloro-5-(2,4-difluoro-3-methoxyphenyl)pyridine-2-carboxylic acid is COc1c(F)ccc(-c2cnc(C(=O)O)c(Cl)c2NC(C)=O)c1F.
What is the InChIKey of 4-acetamido-3-chloro-5-(2,4-difluoro-3-methoxyphenyl)pyridine-2-carboxylic acid?
The InChIKey is CYQDYSZMCFENFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2N2O4/c1-6(21)20-12-8(5-19-13(10(12)16)15(22)23)7-3-4-9(17)14(24-2)11(7)18/h3-5H,1-2H3,(H,22,23)(H,19,20,21).
What are the key properties of 4-acetamido-3-chloro-5-(2,4-difluoro-3-methoxyphenyl)pyridine-2-carboxylic acid?
4-acetamido-3-chloro-5-(2,4-difluoro-3-methoxyphenyl)pyridine-2-carboxylic acid has a molecular weight of 356.71 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-3-chloro-5-(2,4-difluoro-3-methoxyphenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 68808781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).