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

C14H9F3N2O6 — CID 169407409

IUPAC2-amino-4-[3-(difluoromethoxy)-5-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
SMILESNc1[nH]c(=O)c(C(=O)O)c(-c2cc(F)cc(OC(F)F)c2)c1C(=O)O
InChIInChI=1S/C14H9F3N2O6/c15-5-1-4(2-6(3-5)25-14(16)17)7-8(12(21)22)10(18)19-11(20)9(7)13(23)24/h1-3,14H,(H,21,22)(H,23,24)(H3,18,19,20)
InChIKeyMOHTVIYQRYSWLU-UHFFFAOYSA-N
MW358.23 g/mol
LogP1.76
Rot. Bonds5

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

2-amino-4-[3-(difluoromethoxy)-5-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid (PubChem CID 169407409) has the molecular formula C14H9F3N2O6 and a molecular weight of 358.23 g/mol. Its IUPAC name is 2-amino-4-[3-(difluoromethoxy)-5-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name2-amino-4-[3-(difluoromethoxy)-5-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
PubChem CID169407409
Molecular FormulaC14H9F3N2O6
Molecular Weight358.23 g/mol
Exact Mass358.04
IUPAC Name2-amino-4-[3-(difluoromethoxy)-5-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
SMILESNc1[nH]c(=O)c(C(=O)O)c(-c2cc(F)cc(OC(F)F)c2)c1C(=O)O
InChIInChI=1S/C14H9F3N2O6/c15-5-1-4(2-6(3-5)25-14(16)17)7-8(12(21)22)10(18)19-11(20)9(7)13(23)24/h1-3,14H,(H,21,22)(H,23,24)(H3,18,19,20)
InChIKeyMOHTVIYQRYSWLU-UHFFFAOYSA-N
XLogP1.76
TPSA142.71 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.23
LogP ≤ 51.76
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-(difluoromethoxy)-5-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The IUPAC name of 2-amino-4-[3-(difluoromethoxy)-5-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid (CID 169407409) is 2-amino-4-[3-(difluoromethoxy)-5-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 2-amino-4-[3-(difluoromethoxy)-5-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The canonical SMILES for 2-amino-4-[3-(difluoromethoxy)-5-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid is Nc1[nH]c(=O)c(C(=O)O)c(-c2cc(F)cc(OC(F)F)c2)c1C(=O)O.
What is the InChIKey of 2-amino-4-[3-(difluoromethoxy)-5-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The InChIKey is MOHTVIYQRYSWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O6/c15-5-1-4(2-6(3-5)25-14(16)17)7-8(12(21)22)10(18)19-11(20)9(7)13(23)24/h1-3,14H,(H,21,22)(H,23,24)(H3,18,19,20).
What are the key properties of 2-amino-4-[3-(difluoromethoxy)-5-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
2-amino-4-[3-(difluoromethoxy)-5-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid has a molecular weight of 358.23 g/mol, XLogP of 1.76, 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-(difluoromethoxy)-5-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 169407409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).