3-(2-carbamoylphenoxy)pyridine-4-carboxylic acid

C13H10N2O4 — CID 105062501

IUPAC3-(2-carbamoylphenoxy)pyridine-4-carboxylic acid
SMILESNC(=O)c1ccccc1Oc1cnccc1C(=O)O
InChIInChI=1S/C13H10N2O4/c14-12(16)8-3-1-2-4-10(8)19-11-7-15-6-5-9(11)13(17)18/h1-7H,(H2,14,16)(H,17,18)
InChIKeyBQIBBXZBHCFBLJ-UHFFFAOYSA-N
MW258.23 g/mol
LogP1.67
Rot. Bonds4

About 3-(2-carbamoylphenoxy)pyridine-4-carboxylic acid

3-(2-carbamoylphenoxy)pyridine-4-carboxylic acid (PubChem CID 105062501) has the molecular formula C13H10N2O4 and a molecular weight of 258.23 g/mol. Its IUPAC name is 3-(2-carbamoylphenoxy)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-carbamoylphenoxy)pyridine-4-carboxylic acid
PubChem CID105062501
Molecular FormulaC13H10N2O4
Molecular Weight258.23 g/mol
Exact Mass258.06
IUPAC Name3-(2-carbamoylphenoxy)pyridine-4-carboxylic acid
SMILESNC(=O)c1ccccc1Oc1cnccc1C(=O)O
InChIInChI=1S/C13H10N2O4/c14-12(16)8-3-1-2-4-10(8)19-11-7-15-6-5-9(11)13(17)18/h1-7H,(H2,14,16)(H,17,18)
InChIKeyBQIBBXZBHCFBLJ-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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Related Compounds

2-[(4-amino-3-pyridinyl)oxy]benzoic acid
CID 22164896
3-[(3-carbamoyl-2-pyridinyl)oxy]pyridine-4-carboxylic acid
CID 81443048
3-(2-bromophenoxy)pyridine-4-carboxylic acid
CID 114288896
3-(4-carbamoyl-3-fluorophenoxy)pyridine-4-carboxylic acid
CID 105062510
2-(2-carboxyphenoxy)benzoic acid;ethene
CID 67642848
2-pyrazin-2-yloxybenzoic acid
CID 61395597
3-(4-iodophenoxy)pyridine-4-carboxylic acid
CID 114288913
3-(4-chlorophenoxy)pyridine-4-carboxylic acid
CID 114288873
3-(6-methylpyridazin-3-yl)oxypyridine-4-carboxylic acid
CID 81443389
2-(2-carbamoylphenoxy)-5-chloropyridine-4-carboxylic acid
CID 114916832
3-(trifluoromethoxy)pyridine-4-carboxamide
CID 130088898
3-[(3-fluoro-2-pyridinyl)oxy]pyridine-4-carboxylic acid
CID 81442880

Frequently Asked Questions

What is the IUPAC name of 3-(2-carbamoylphenoxy)pyridine-4-carboxylic acid?
The IUPAC name of 3-(2-carbamoylphenoxy)pyridine-4-carboxylic acid (CID 105062501) is 3-(2-carbamoylphenoxy)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-(2-carbamoylphenoxy)pyridine-4-carboxylic acid?
The canonical SMILES for 3-(2-carbamoylphenoxy)pyridine-4-carboxylic acid is NC(=O)c1ccccc1Oc1cnccc1C(=O)O.
What is the InChIKey of 3-(2-carbamoylphenoxy)pyridine-4-carboxylic acid?
The InChIKey is BQIBBXZBHCFBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O4/c14-12(16)8-3-1-2-4-10(8)19-11-7-15-6-5-9(11)13(17)18/h1-7H,(H2,14,16)(H,17,18).
What are the key properties of 3-(2-carbamoylphenoxy)pyridine-4-carboxylic acid?
3-(2-carbamoylphenoxy)pyridine-4-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 3-(2-carbamoylphenoxy)pyridine-4-carboxylic acid is sourced from PubChem (CID 105062501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).