2-(3-carbamoylphenoxy)pyridine-3-carboxylic acid

C13H10N2O4 — CID 24704749

IUPAC2-(3-carbamoylphenoxy)pyridine-3-carboxylic acid
SMILESNC(=O)c1cccc(Oc2ncccc2C(=O)O)c1
InChIInChI=1S/C13H10N2O4/c14-11(16)8-3-1-4-9(7-8)19-12-10(13(17)18)5-2-6-15-12/h1-7H,(H2,14,16)(H,17,18)
InChIKeyLKKWVTKGGUESNE-UHFFFAOYSA-N
MW258.23 g/mol
LogP1.67
Rot. Bonds4

About 2-(3-carbamoylphenoxy)pyridine-3-carboxylic acid

2-(3-carbamoylphenoxy)pyridine-3-carboxylic acid (PubChem CID 24704749) has the molecular formula C13H10N2O4 and a molecular weight of 258.23 g/mol. Its IUPAC name is 2-(3-carbamoylphenoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-carbamoylphenoxy)pyridine-3-carboxylic acid
PubChem CID24704749
Molecular FormulaC13H10N2O4
Molecular Weight258.23 g/mol
Exact Mass258.06
IUPAC Name2-(3-carbamoylphenoxy)pyridine-3-carboxylic acid
SMILESNC(=O)c1cccc(Oc2ncccc2C(=O)O)c1
InChIInChI=1S/C13H10N2O4/c14-11(16)8-3-1-4-9(7-8)19-12-10(13(17)18)5-2-6-15-12/h1-7H,(H2,14,16)(H,17,18)
InChIKeyLKKWVTKGGUESNE-UHFFFAOYSA-N
XLogP1.67
TPSA102.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-carbamoylphenoxy)pyridine-3-carboxylic acid?
The IUPAC name of 2-(3-carbamoylphenoxy)pyridine-3-carboxylic acid (CID 24704749) is 2-(3-carbamoylphenoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3-carbamoylphenoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(3-carbamoylphenoxy)pyridine-3-carboxylic acid is NC(=O)c1cccc(Oc2ncccc2C(=O)O)c1.
What is the InChIKey of 2-(3-carbamoylphenoxy)pyridine-3-carboxylic acid?
The InChIKey is LKKWVTKGGUESNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O4/c14-11(16)8-3-1-4-9(7-8)19-12-10(13(17)18)5-2-6-15-12/h1-7H,(H2,14,16)(H,17,18).
What are the key properties of 2-(3-carbamoylphenoxy)pyridine-3-carboxylic acid?
2-(3-carbamoylphenoxy)pyridine-3-carboxylic acid has a molecular weight of 258.23 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-carbamoylphenoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 24704749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).