2-(2-carbamoyl-3-fluorophenoxy)pyridine-3-carboxylic acid

C13H9FN2O4 — CID 43609549

IUPAC2-(2-carbamoyl-3-fluorophenoxy)pyridine-3-carboxylic acid
SMILESNC(=O)c1c(F)cccc1Oc1ncccc1C(=O)O
InChIInChI=1S/C13H9FN2O4/c14-8-4-1-5-9(10(8)11(15)17)20-12-7(13(18)19)3-2-6-16-12/h1-6H,(H2,15,17)(H,18,19)
InChIKeyABJLPNWQLWYBOT-UHFFFAOYSA-N
MW276.22 g/mol
LogP1.81
Rot. Bonds4

About 2-(2-carbamoyl-3-fluorophenoxy)pyridine-3-carboxylic acid

2-(2-carbamoyl-3-fluorophenoxy)pyridine-3-carboxylic acid (PubChem CID 43609549) has the molecular formula C13H9FN2O4 and a molecular weight of 276.22 g/mol. Its IUPAC name is 2-(2-carbamoyl-3-fluorophenoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-carbamoyl-3-fluorophenoxy)pyridine-3-carboxylic acid
PubChem CID43609549
Molecular FormulaC13H9FN2O4
Molecular Weight276.22 g/mol
Exact Mass276.05
IUPAC Name2-(2-carbamoyl-3-fluorophenoxy)pyridine-3-carboxylic acid
SMILESNC(=O)c1c(F)cccc1Oc1ncccc1C(=O)O
InChIInChI=1S/C13H9FN2O4/c14-8-4-1-5-9(10(8)11(15)17)20-12-7(13(18)19)3-2-6-16-12/h1-6H,(H2,15,17)(H,18,19)
InChIKeyABJLPNWQLWYBOT-UHFFFAOYSA-N
XLogP1.81
TPSA102.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-carbamoyl-3-fluorophenoxy)pyridine-3-carboxylic acid?
The IUPAC name of 2-(2-carbamoyl-3-fluorophenoxy)pyridine-3-carboxylic acid (CID 43609549) is 2-(2-carbamoyl-3-fluorophenoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-carbamoyl-3-fluorophenoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-carbamoyl-3-fluorophenoxy)pyridine-3-carboxylic acid is NC(=O)c1c(F)cccc1Oc1ncccc1C(=O)O.
What is the InChIKey of 2-(2-carbamoyl-3-fluorophenoxy)pyridine-3-carboxylic acid?
The InChIKey is ABJLPNWQLWYBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O4/c14-8-4-1-5-9(10(8)11(15)17)20-12-7(13(18)19)3-2-6-16-12/h1-6H,(H2,15,17)(H,18,19).
What are the key properties of 2-(2-carbamoyl-3-fluorophenoxy)pyridine-3-carboxylic acid?
2-(2-carbamoyl-3-fluorophenoxy)pyridine-3-carboxylic acid has a molecular weight of 276.22 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbamoyl-3-fluorophenoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 43609549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).