5-chloro-2-(2-methoxyphenoxy)pyridine-4-carboxylic acid

C13H10ClNO4 — CID 114916805

IUPAC5-chloro-2-(2-methoxyphenoxy)pyridine-4-carboxylic acid
SMILESCOc1ccccc1Oc1cc(C(=O)O)c(Cl)cn1
InChIInChI=1S/C13H10ClNO4/c1-18-10-4-2-3-5-11(10)19-12-6-8(13(16)17)9(14)7-15-12/h2-7H,1H3,(H,16,17)
InChIKeyZJSVUTZEIKRZPC-UHFFFAOYSA-N
MW279.68 g/mol
LogP3.23
Rot. Bonds4

About 5-chloro-2-(2-methoxyphenoxy)pyridine-4-carboxylic acid

5-chloro-2-(2-methoxyphenoxy)pyridine-4-carboxylic acid (PubChem CID 114916805) has the molecular formula C13H10ClNO4 and a molecular weight of 279.68 g/mol. Its IUPAC name is 5-chloro-2-(2-methoxyphenoxy)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-(2-methoxyphenoxy)pyridine-4-carboxylic acid
PubChem CID114916805
Molecular FormulaC13H10ClNO4
Molecular Weight279.68 g/mol
Exact Mass279.03
IUPAC Name5-chloro-2-(2-methoxyphenoxy)pyridine-4-carboxylic acid
SMILESCOc1ccccc1Oc1cc(C(=O)O)c(Cl)cn1
InChIInChI=1S/C13H10ClNO4/c1-18-10-4-2-3-5-11(10)19-12-6-8(13(16)17)9(14)7-15-12/h2-7H,1H3,(H,16,17)
InChIKeyZJSVUTZEIKRZPC-UHFFFAOYSA-N
XLogP3.23
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.68
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-carbamoylphenoxy)-5-chloropyridine-4-carboxylic acid
CID 114916832
2-(2-acetamidophenoxy)-5-chloropyridine-4-carboxylic acid
CID 114916812
5-chloro-2-(2-nitrophenoxy)pyridine-4-carboxylic acid
CID 114916895
5-chloro-2-[3-(methoxymethyl)phenoxy]pyridine-4-carboxylic acid
CID 114916937
5-chloro-2-(2-chloro-4-nitrophenoxy)pyridine-4-carboxylic acid
CID 114916898
3-chloro-2-(2-methoxyphenoxy)benzoic acid
CID 113434883
5-chloro-2-(4-chloro-3-fluorophenoxy)pyridine-4-carboxylic acid
CID 114916977
5-chloro-2-(2-methoxyphenoxy)pyridine
CID 66233202
5-chloro-2-(4-cyano-2-fluorophenoxy)pyridine-4-carboxylic acid
CID 107670303
N-[[5-chloro-2-(2-methoxyphenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 114928315
2-(2-methoxyphenoxy)-4-methylpyrimidine-5-carboxylic acid
CID 83181861
2-[6-(2-methoxyphenoxy)pyrimidin-4-yl]acetic acid
CID 116820301

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-methoxyphenoxy)pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-(2-methoxyphenoxy)pyridine-4-carboxylic acid (CID 114916805) is 5-chloro-2-(2-methoxyphenoxy)pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-(2-methoxyphenoxy)pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-(2-methoxyphenoxy)pyridine-4-carboxylic acid is COc1ccccc1Oc1cc(C(=O)O)c(Cl)cn1.
What is the InChIKey of 5-chloro-2-(2-methoxyphenoxy)pyridine-4-carboxylic acid?
The InChIKey is ZJSVUTZEIKRZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO4/c1-18-10-4-2-3-5-11(10)19-12-6-8(13(16)17)9(14)7-15-12/h2-7H,1H3,(H,16,17).
What are the key properties of 5-chloro-2-(2-methoxyphenoxy)pyridine-4-carboxylic acid?
5-chloro-2-(2-methoxyphenoxy)pyridine-4-carboxylic acid has a molecular weight of 279.68 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-methoxyphenoxy)pyridine-4-carboxylic acid is sourced from PubChem (CID 114916805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).