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

C13H10ClFN2O3 — CID 71175272

IUPAC4-amino-6-(4-chlorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid
SMILESCOc1c(C(=O)O)nc(-c2ccc(Cl)cc2)c(F)c1N
InChIInChI=1S/C13H10ClFN2O3/c1-20-12-9(16)8(15)10(17-11(12)13(18)19)6-2-4-7(14)5-3-6/h2-5H,1H3,(H2,16,17)(H,18,19)
InChIKeyUYQPJFQNWXXVOX-UHFFFAOYSA-N
MW296.69 g/mol
LogP2.83
Rot. Bonds3

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

4-amino-6-(4-chlorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid (PubChem CID 71175272) has the molecular formula C13H10ClFN2O3 and a molecular weight of 296.69 g/mol. Its IUPAC name is 4-amino-6-(4-chlorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-6-(4-chlorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid
PubChem CID71175272
Molecular FormulaC13H10ClFN2O3
Molecular Weight296.69 g/mol
Exact Mass296.04
IUPAC Name4-amino-6-(4-chlorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid
SMILESCOc1c(C(=O)O)nc(-c2ccc(Cl)cc2)c(F)c1N
InChIInChI=1S/C13H10ClFN2O3/c1-20-12-9(16)8(15)10(17-11(12)13(18)19)6-2-4-7(14)5-3-6/h2-5H,1H3,(H2,16,17)(H,18,19)
InChIKeyUYQPJFQNWXXVOX-UHFFFAOYSA-N
XLogP2.83
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.69
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(4-chlorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid?
The IUPAC name of 4-amino-6-(4-chlorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid (CID 71175272) is 4-amino-6-(4-chlorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid.
What is the SMILES notation for 4-amino-6-(4-chlorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid?
The canonical SMILES for 4-amino-6-(4-chlorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid is COc1c(C(=O)O)nc(-c2ccc(Cl)cc2)c(F)c1N.
What is the InChIKey of 4-amino-6-(4-chlorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid?
The InChIKey is UYQPJFQNWXXVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O3/c1-20-12-9(16)8(15)10(17-11(12)13(18)19)6-2-4-7(14)5-3-6/h2-5H,1H3,(H2,16,17)(H,18,19).
What are the key properties of 4-amino-6-(4-chlorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid?
4-amino-6-(4-chlorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid has a molecular weight of 296.69 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(4-chlorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid is sourced from PubChem (CID 71175272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).