5-chloro-2-[3-(methoxymethyl)phenoxy]pyridine-4-carboxylic acid

C14H12ClNO4 — CID 114916937

IUPAC5-chloro-2-[3-(methoxymethyl)phenoxy]pyridine-4-carboxylic acid
SMILESCOCc1cccc(Oc2cc(C(=O)O)c(Cl)cn2)c1
InChIInChI=1S/C14H12ClNO4/c1-19-8-9-3-2-4-10(5-9)20-13-6-11(14(17)18)12(15)7-16-13/h2-7H,8H2,1H3,(H,17,18)
InChIKeyPNKXPTOLNFYKTK-UHFFFAOYSA-N
MW293.71 g/mol
LogP3.37
Rot. Bonds5

About 5-chloro-2-[3-(methoxymethyl)phenoxy]pyridine-4-carboxylic acid

5-chloro-2-[3-(methoxymethyl)phenoxy]pyridine-4-carboxylic acid (PubChem CID 114916937) has the molecular formula C14H12ClNO4 and a molecular weight of 293.71 g/mol. Its IUPAC name is 5-chloro-2-[3-(methoxymethyl)phenoxy]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-[3-(methoxymethyl)phenoxy]pyridine-4-carboxylic acid
PubChem CID114916937
Molecular FormulaC14H12ClNO4
Molecular Weight293.71 g/mol
Exact Mass293.05
IUPAC Name5-chloro-2-[3-(methoxymethyl)phenoxy]pyridine-4-carboxylic acid
SMILESCOCc1cccc(Oc2cc(C(=O)O)c(Cl)cn2)c1
InChIInChI=1S/C14H12ClNO4/c1-19-8-9-3-2-4-10(5-9)20-13-6-11(14(17)18)12(15)7-16-13/h2-7H,8H2,1H3,(H,17,18)
InChIKeyPNKXPTOLNFYKTK-UHFFFAOYSA-N
XLogP3.37
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-chloro-2-[3-(methoxymethyl)phenoxy]-4-pyridinyl]-N-methylmethanamine
CID 114928698
[6-[3-(methoxymethyl)phenoxy]-3-pyridinyl]methanol
CID 63986464
5-chloro-2-(4-chloro-3-fluorophenoxy)pyridine-4-carboxylic acid
CID 114916977
2-chloro-6-[3-(methoxymethyl)phenoxy]pyrazine
CID 63985764
5-chloro-2-(2-methoxyphenoxy)pyridine-4-carboxylic acid
CID 114916805
3-[3-(methoxymethyl)phenoxy]pyridazine-4-carboxylic acid
CID 80518415
2-[3-(methoxymethyl)phenoxy]-5-methylpyridine
CID 123576631
4-chloro-6-[3-(methoxymethyl)phenoxy]-2-methylpyrimidine
CID 63986769
2-[3-(methoxymethyl)phenoxy]pyridine
CID 174239052
(3-methoxyphenyl)methyl 2,5-dichloropyridine-4-carboxylate
CID 114929160
2-(2-carbamoylphenoxy)-5-chloropyridine-4-carboxylic acid
CID 114916832
2-(2-acetamidophenoxy)-5-chloropyridine-4-carboxylic acid
CID 114916812

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[3-(methoxymethyl)phenoxy]pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-[3-(methoxymethyl)phenoxy]pyridine-4-carboxylic acid (CID 114916937) is 5-chloro-2-[3-(methoxymethyl)phenoxy]pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-[3-(methoxymethyl)phenoxy]pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-[3-(methoxymethyl)phenoxy]pyridine-4-carboxylic acid is COCc1cccc(Oc2cc(C(=O)O)c(Cl)cn2)c1.
What is the InChIKey of 5-chloro-2-[3-(methoxymethyl)phenoxy]pyridine-4-carboxylic acid?
The InChIKey is PNKXPTOLNFYKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO4/c1-19-8-9-3-2-4-10(5-9)20-13-6-11(14(17)18)12(15)7-16-13/h2-7H,8H2,1H3,(H,17,18).
What are the key properties of 5-chloro-2-[3-(methoxymethyl)phenoxy]pyridine-4-carboxylic acid?
5-chloro-2-[3-(methoxymethyl)phenoxy]pyridine-4-carboxylic acid has a molecular weight of 293.71 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[3-(methoxymethyl)phenoxy]pyridine-4-carboxylic acid is sourced from PubChem (CID 114916937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).