2-amino-4-[3-(4-fluorophenoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid

C19H13FN2O6 — CID 169406259

IUPAC2-amino-4-[3-(4-fluorophenoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
SMILESNc1[nH]c(=O)c(C(=O)O)c(-c2cccc(Oc3ccc(F)cc3)c2)c1C(=O)O
InChIInChI=1S/C19H13FN2O6/c20-10-4-6-11(7-5-10)28-12-3-1-2-9(8-12)13-14(18(24)25)16(21)22-17(23)15(13)19(26)27/h1-8H,(H,24,25)(H,26,27)(H3,21,22,23)
InChIKeyPPELLOWSSVGOQN-UHFFFAOYSA-N
MW384.32 g/mol
LogP2.95
Rot. Bonds5

About 2-amino-4-[3-(4-fluorophenoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid

2-amino-4-[3-(4-fluorophenoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid (PubChem CID 169406259) has the molecular formula C19H13FN2O6 and a molecular weight of 384.32 g/mol. Its IUPAC name is 2-amino-4-[3-(4-fluorophenoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name2-amino-4-[3-(4-fluorophenoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
PubChem CID169406259
Molecular FormulaC19H13FN2O6
Molecular Weight384.32 g/mol
Exact Mass384.08
IUPAC Name2-amino-4-[3-(4-fluorophenoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
SMILESNc1[nH]c(=O)c(C(=O)O)c(-c2cccc(Oc3ccc(F)cc3)c2)c1C(=O)O
InChIInChI=1S/C19H13FN2O6/c20-10-4-6-11(7-5-10)28-12-3-1-2-9(8-12)13-14(18(24)25)16(21)22-17(23)15(13)19(26)27/h1-8H,(H,24,25)(H,26,27)(H3,21,22,23)
InChIKeyPPELLOWSSVGOQN-UHFFFAOYSA-N
XLogP2.95
TPSA142.71 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.32
LogP ≤ 52.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[3-(4-fluorophenoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The IUPAC name of 2-amino-4-[3-(4-fluorophenoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid (CID 169406259) is 2-amino-4-[3-(4-fluorophenoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 2-amino-4-[3-(4-fluorophenoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The canonical SMILES for 2-amino-4-[3-(4-fluorophenoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid is Nc1[nH]c(=O)c(C(=O)O)c(-c2cccc(Oc3ccc(F)cc3)c2)c1C(=O)O.
What is the InChIKey of 2-amino-4-[3-(4-fluorophenoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The InChIKey is PPELLOWSSVGOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O6/c20-10-4-6-11(7-5-10)28-12-3-1-2-9(8-12)13-14(18(24)25)16(21)22-17(23)15(13)19(26)27/h1-8H,(H,24,25)(H,26,27)(H3,21,22,23).
What are the key properties of 2-amino-4-[3-(4-fluorophenoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
2-amino-4-[3-(4-fluorophenoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid has a molecular weight of 384.32 g/mol, XLogP of 2.95, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[3-(4-fluorophenoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 169406259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).