4-acetamido-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylic acid

C16H14ClFN2O5 — CID 123685027

IUPAC4-acetamido-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylic acid
SMILESCOc1c(NC(C)=O)cc(-c2ccc(Cl)c(OC)c2F)nc1C(=O)O
InChIInChI=1S/C16H14ClFN2O5/c1-7(21)19-11-6-10(20-13(16(22)23)15(11)25-3)8-4-5-9(17)14(24-2)12(8)18/h4-6H,1-3H3,(H,22,23)(H,19,20,21)
InChIKeyZUJASODUQFDJOE-UHFFFAOYSA-N
MW368.75 g/mol
LogP3.21
Rot. Bonds5

About 4-acetamido-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylic acid

4-acetamido-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylic acid (PubChem CID 123685027) has the molecular formula C16H14ClFN2O5 and a molecular weight of 368.75 g/mol. Its IUPAC name is 4-acetamido-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-acetamido-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylic acid
PubChem CID123685027
Molecular FormulaC16H14ClFN2O5
Molecular Weight368.75 g/mol
Exact Mass368.06
IUPAC Name4-acetamido-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylic acid
SMILESCOc1c(NC(C)=O)cc(-c2ccc(Cl)c(OC)c2F)nc1C(=O)O
InChIInChI=1S/C16H14ClFN2O5/c1-7(21)19-11-6-10(20-13(16(22)23)15(11)25-3)8-4-5-9(17)14(24-2)12(8)18/h4-6H,1-3H3,(H,22,23)(H,19,20,21)
InChIKeyZUJASODUQFDJOE-UHFFFAOYSA-N
XLogP3.21
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.75
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-acetamido-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylic acid?
The IUPAC name of 4-acetamido-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylic acid (CID 123685027) is 4-acetamido-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylic acid.
What is the SMILES notation for 4-acetamido-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylic acid?
The canonical SMILES for 4-acetamido-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylic acid is COc1c(NC(C)=O)cc(-c2ccc(Cl)c(OC)c2F)nc1C(=O)O.
What is the InChIKey of 4-acetamido-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylic acid?
The InChIKey is ZUJASODUQFDJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O5/c1-7(21)19-11-6-10(20-13(16(22)23)15(11)25-3)8-4-5-9(17)14(24-2)12(8)18/h4-6H,1-3H3,(H,22,23)(H,19,20,21).
What are the key properties of 4-acetamido-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylic acid?
4-acetamido-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylic acid has a molecular weight of 368.75 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylic acid is sourced from PubChem (CID 123685027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).