3-(4-carbamoyl-3-fluorophenoxy)pyridine-4-carboxylic acid

C13H9FN2O4 — CID 105062510

IUPAC3-(4-carbamoyl-3-fluorophenoxy)pyridine-4-carboxylic acid
SMILESNC(=O)c1ccc(Oc2cnccc2C(=O)O)cc1F
InChIInChI=1S/C13H9FN2O4/c14-10-5-7(1-2-8(10)12(15)17)20-11-6-16-4-3-9(11)13(18)19/h1-6H,(H2,15,17)(H,18,19)
InChIKeyWPJOOPLGPCIBRQ-UHFFFAOYSA-N
MW276.22 g/mol
LogP1.81
Rot. Bonds4

About 3-(4-carbamoyl-3-fluorophenoxy)pyridine-4-carboxylic acid

3-(4-carbamoyl-3-fluorophenoxy)pyridine-4-carboxylic acid (PubChem CID 105062510) has the molecular formula C13H9FN2O4 and a molecular weight of 276.22 g/mol. Its IUPAC name is 3-(4-carbamoyl-3-fluorophenoxy)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(4-carbamoyl-3-fluorophenoxy)pyridine-4-carboxylic acid
PubChem CID105062510
Molecular FormulaC13H9FN2O4
Molecular Weight276.22 g/mol
Exact Mass276.05
IUPAC Name3-(4-carbamoyl-3-fluorophenoxy)pyridine-4-carboxylic acid
SMILESNC(=O)c1ccc(Oc2cnccc2C(=O)O)cc1F
InChIInChI=1S/C13H9FN2O4/c14-10-5-7(1-2-8(10)12(15)17)20-11-6-16-4-3-9(11)13(18)19/h1-6H,(H2,15,17)(H,18,19)
InChIKeyWPJOOPLGPCIBRQ-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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Related Compounds

3-(4-chlorophenoxy)pyridine-4-carboxylic acid
CID 114288873
3-(2-carbamoylphenoxy)pyridine-4-carboxylic acid
CID 105062501
3-(4-iodophenoxy)pyridine-4-carboxylic acid
CID 114288913
3-(4-sulfamoylphenoxy)pyridine-4-carboxylic acid
CID 81443465
3-(4-acetylphenoxy)pyridine-4-carboxylic acid
CID 81443544
3-[(3-carbamoyl-2-pyridinyl)oxy]pyridine-4-carboxylic acid
CID 81443048
2-fluoro-4-pyrimidin-4-yloxybenzoic acid
CID 107677489
3-[(3-fluoro-2-pyridinyl)oxy]pyridine-4-carboxylic acid
CID 81442880
2-amino-5-(3,4-difluorophenoxy)pyridine-4-carboxylic acid
CID 114195658
4-(4-fluorophenoxy)pyridine-3-carboxylic acid
CID 81229679
4-cinnolin-4-yloxy-2-fluorobenzoic acid
CID 107677502
3-(4-chloro-2-methylphenoxy)pyridine-4-carboxylic acid
CID 114288885

Frequently Asked Questions

What is the IUPAC name of 3-(4-carbamoyl-3-fluorophenoxy)pyridine-4-carboxylic acid?
The IUPAC name of 3-(4-carbamoyl-3-fluorophenoxy)pyridine-4-carboxylic acid (CID 105062510) is 3-(4-carbamoyl-3-fluorophenoxy)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-(4-carbamoyl-3-fluorophenoxy)pyridine-4-carboxylic acid?
The canonical SMILES for 3-(4-carbamoyl-3-fluorophenoxy)pyridine-4-carboxylic acid is NC(=O)c1ccc(Oc2cnccc2C(=O)O)cc1F.
What is the InChIKey of 3-(4-carbamoyl-3-fluorophenoxy)pyridine-4-carboxylic acid?
The InChIKey is WPJOOPLGPCIBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O4/c14-10-5-7(1-2-8(10)12(15)17)20-11-6-16-4-3-9(11)13(18)19/h1-6H,(H2,15,17)(H,18,19).
What are the key properties of 3-(4-carbamoyl-3-fluorophenoxy)pyridine-4-carboxylic acid?
3-(4-carbamoyl-3-fluorophenoxy)pyridine-4-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 3-(4-carbamoyl-3-fluorophenoxy)pyridine-4-carboxylic acid is sourced from PubChem (CID 105062510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).