4-amino-5-fluoro-6-(3-fluoro-4-methylphenyl)-3-methoxypyridine-2-carboxylic acid

C14H12F2N2O3 — CID 71175247

IUPAC4-amino-5-fluoro-6-(3-fluoro-4-methylphenyl)-3-methoxypyridine-2-carboxylic acid
SMILESCOc1c(C(=O)O)nc(-c2ccc(C)c(F)c2)c(F)c1N
InChIInChI=1S/C14H12F2N2O3/c1-6-3-4-7(5-8(6)15)11-9(16)10(17)13(21-2)12(18-11)14(19)20/h3-5H,1-2H3,(H2,17,18)(H,19,20)
InChIKeyAGRYFVNYGZKKLA-UHFFFAOYSA-N
MW294.26 g/mol
LogP2.62
Rot. Bonds3

About 4-amino-5-fluoro-6-(3-fluoro-4-methylphenyl)-3-methoxypyridine-2-carboxylic acid

4-amino-5-fluoro-6-(3-fluoro-4-methylphenyl)-3-methoxypyridine-2-carboxylic acid (PubChem CID 71175247) has the molecular formula C14H12F2N2O3 and a molecular weight of 294.26 g/mol. Its IUPAC name is 4-amino-5-fluoro-6-(3-fluoro-4-methylphenyl)-3-methoxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-5-fluoro-6-(3-fluoro-4-methylphenyl)-3-methoxypyridine-2-carboxylic acid
PubChem CID71175247
Molecular FormulaC14H12F2N2O3
Molecular Weight294.26 g/mol
Exact Mass294.08
IUPAC Name4-amino-5-fluoro-6-(3-fluoro-4-methylphenyl)-3-methoxypyridine-2-carboxylic acid
SMILESCOc1c(C(=O)O)nc(-c2ccc(C)c(F)c2)c(F)c1N
InChIInChI=1S/C14H12F2N2O3/c1-6-3-4-7(5-8(6)15)11-9(16)10(17)13(21-2)12(18-11)14(19)20/h3-5H,1-2H3,(H2,17,18)(H,19,20)
InChIKeyAGRYFVNYGZKKLA-UHFFFAOYSA-N
XLogP2.62
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.26
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-fluoro-6-(3-fluoro-4-methylphenyl)-3-methoxypyridine-2-carboxylic acid?
The IUPAC name of 4-amino-5-fluoro-6-(3-fluoro-4-methylphenyl)-3-methoxypyridine-2-carboxylic acid (CID 71175247) is 4-amino-5-fluoro-6-(3-fluoro-4-methylphenyl)-3-methoxypyridine-2-carboxylic acid.
What is the SMILES notation for 4-amino-5-fluoro-6-(3-fluoro-4-methylphenyl)-3-methoxypyridine-2-carboxylic acid?
The canonical SMILES for 4-amino-5-fluoro-6-(3-fluoro-4-methylphenyl)-3-methoxypyridine-2-carboxylic acid is COc1c(C(=O)O)nc(-c2ccc(C)c(F)c2)c(F)c1N.
What is the InChIKey of 4-amino-5-fluoro-6-(3-fluoro-4-methylphenyl)-3-methoxypyridine-2-carboxylic acid?
The InChIKey is AGRYFVNYGZKKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O3/c1-6-3-4-7(5-8(6)15)11-9(16)10(17)13(21-2)12(18-11)14(19)20/h3-5H,1-2H3,(H2,17,18)(H,19,20).
What are the key properties of 4-amino-5-fluoro-6-(3-fluoro-4-methylphenyl)-3-methoxypyridine-2-carboxylic acid?
4-amino-5-fluoro-6-(3-fluoro-4-methylphenyl)-3-methoxypyridine-2-carboxylic acid has a molecular weight of 294.26 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-fluoro-6-(3-fluoro-4-methylphenyl)-3-methoxypyridine-2-carboxylic acid is sourced from PubChem (CID 71175247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).