2-(2-carbamoylphenoxy)-5-chloropyridine-4-carboxylic acid

C13H9ClN2O4 — CID 114916832

IUPAC2-(2-carbamoylphenoxy)-5-chloropyridine-4-carboxylic acid
SMILESNC(=O)c1ccccc1Oc1cc(C(=O)O)c(Cl)cn1
InChIInChI=1S/C13H9ClN2O4/c14-9-6-16-11(5-8(9)13(18)19)20-10-4-2-1-3-7(10)12(15)17/h1-6H,(H2,15,17)(H,18,19)
InChIKeyXNLHVIWHXJZUHI-UHFFFAOYSA-N
MW292.68 g/mol
LogP2.32
Rot. Bonds4

About 2-(2-carbamoylphenoxy)-5-chloropyridine-4-carboxylic acid

2-(2-carbamoylphenoxy)-5-chloropyridine-4-carboxylic acid (PubChem CID 114916832) has the molecular formula C13H9ClN2O4 and a molecular weight of 292.68 g/mol. Its IUPAC name is 2-(2-carbamoylphenoxy)-5-chloropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-carbamoylphenoxy)-5-chloropyridine-4-carboxylic acid
PubChem CID114916832
Molecular FormulaC13H9ClN2O4
Molecular Weight292.68 g/mol
Exact Mass292.03
IUPAC Name2-(2-carbamoylphenoxy)-5-chloropyridine-4-carboxylic acid
SMILESNC(=O)c1ccccc1Oc1cc(C(=O)O)c(Cl)cn1
InChIInChI=1S/C13H9ClN2O4/c14-9-6-16-11(5-8(9)13(18)19)20-10-4-2-1-3-7(10)12(15)17/h1-6H,(H2,15,17)(H,18,19)
InChIKeyXNLHVIWHXJZUHI-UHFFFAOYSA-N
XLogP2.32
TPSA102.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.68
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-(2-methoxyphenoxy)pyridine-4-carboxylic acid
CID 114916805
5-chloro-2-(2-nitrophenoxy)pyridine-4-carboxylic acid
CID 114916895
2-(2-acetamidophenoxy)-5-chloropyridine-4-carboxylic acid
CID 114916812
5-chloro-2-(2-chloro-4-nitrophenoxy)pyridine-4-carboxylic acid
CID 114916898
3-(2-carbamoylphenoxy)pyridine-4-carboxylic acid
CID 105062501
5-chloro-2-(4-chloro-3-fluorophenoxy)pyridine-4-carboxylic acid
CID 114916977
5-chloro-2-(4-cyano-2-fluorophenoxy)pyridine-4-carboxylic acid
CID 107670303
2-(6-chloropyridazin-3-yl)oxybenzoic acid
CID 61395460
2-(6-chloropyrazin-2-yl)oxybenzoic acid
CID 114335564
5-chloro-2-[3-(methoxymethyl)phenoxy]pyridine-4-carboxylic acid
CID 114916937
2-[5-chloro-2-(ethylamino)pyrimidin-4-yl]oxybenzamide
CID 80862531
2-(5-bromo-2-chloropyrimidin-4-yl)oxybenzamide
CID 79076427

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbamoylphenoxy)-5-chloropyridine-4-carboxylic acid?
The IUPAC name of 2-(2-carbamoylphenoxy)-5-chloropyridine-4-carboxylic acid (CID 114916832) is 2-(2-carbamoylphenoxy)-5-chloropyridine-4-carboxylic acid.
What is the SMILES notation for 2-(2-carbamoylphenoxy)-5-chloropyridine-4-carboxylic acid?
The canonical SMILES for 2-(2-carbamoylphenoxy)-5-chloropyridine-4-carboxylic acid is NC(=O)c1ccccc1Oc1cc(C(=O)O)c(Cl)cn1.
What is the InChIKey of 2-(2-carbamoylphenoxy)-5-chloropyridine-4-carboxylic acid?
The InChIKey is XNLHVIWHXJZUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O4/c14-9-6-16-11(5-8(9)13(18)19)20-10-4-2-1-3-7(10)12(15)17/h1-6H,(H2,15,17)(H,18,19).
What are the key properties of 2-(2-carbamoylphenoxy)-5-chloropyridine-4-carboxylic acid?
2-(2-carbamoylphenoxy)-5-chloropyridine-4-carboxylic acid has a molecular weight of 292.68 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbamoylphenoxy)-5-chloropyridine-4-carboxylic acid is sourced from PubChem (CID 114916832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).