3-[3-(methoxymethyl)phenoxy]pyridazine-4-carboxylic acid

C13H12N2O4 — CID 80518415

IUPAC3-[3-(methoxymethyl)phenoxy]pyridazine-4-carboxylic acid
SMILESCOCc1cccc(Oc2nnccc2C(=O)O)c1
InChIInChI=1S/C13H12N2O4/c1-18-8-9-3-2-4-10(7-9)19-12-11(13(16)17)5-6-14-15-12/h2-7H,8H2,1H3,(H,16,17)
InChIKeyVKHPEDCLFZUOAG-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.11
Rot. Bonds5

About 3-[3-(methoxymethyl)phenoxy]pyridazine-4-carboxylic acid

3-[3-(methoxymethyl)phenoxy]pyridazine-4-carboxylic acid (PubChem CID 80518415) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 3-[3-(methoxymethyl)phenoxy]pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-[3-(methoxymethyl)phenoxy]pyridazine-4-carboxylic acid
PubChem CID80518415
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name3-[3-(methoxymethyl)phenoxy]pyridazine-4-carboxylic acid
SMILESCOCc1cccc(Oc2nnccc2C(=O)O)c1
InChIInChI=1S/C13H12N2O4/c1-18-8-9-3-2-4-10(7-9)19-12-11(13(16)17)5-6-14-15-12/h2-7H,8H2,1H3,(H,16,17)
InChIKeyVKHPEDCLFZUOAG-UHFFFAOYSA-N
XLogP2.11
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[3-(methoxymethyl)phenoxy]pyridazin-4-yl]methanamine
CID 80508065
5-chloro-2-[3-(methoxymethyl)phenoxy]pyridine-4-carboxylic acid
CID 114916937
3-(4-bromo-3,5-dimethylphenoxy)pyridazine-4-carboxylic acid
CID 107726786
3-(2,3-dimethylphenoxy)pyridazine-4-carboxylic acid
CID 80517433
2-amino-5-[3-(methoxymethyl)phenoxy]benzamide
CID 63987043
2-amino-3-[3-(methoxymethyl)phenoxy]benzamide
CID 115547294
[3-[3-(methoxymethyl)phenoxy]pyrazin-2-yl]methanamine
CID 63984754
3-[(3-methoxyphenyl)methoxy]pyridazine-4-carbothioamide
CID 80512658
3-quinolin-3-yloxypyridazine-4-carboxylic acid
CID 107387979
3-fluoro-2-(3-methoxyphenoxy)pyridine-4-carboxylic acid
CID 105379912
2-[3-(methoxymethyl)phenoxy]pyridine-3-sulfonyl chloride
CID 115928514
2-[3-(methoxymethyl)phenoxy]pyridine
CID 174239052

Frequently Asked Questions

What is the IUPAC name of 3-[3-(methoxymethyl)phenoxy]pyridazine-4-carboxylic acid?
The IUPAC name of 3-[3-(methoxymethyl)phenoxy]pyridazine-4-carboxylic acid (CID 80518415) is 3-[3-(methoxymethyl)phenoxy]pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-[3-(methoxymethyl)phenoxy]pyridazine-4-carboxylic acid?
The canonical SMILES for 3-[3-(methoxymethyl)phenoxy]pyridazine-4-carboxylic acid is COCc1cccc(Oc2nnccc2C(=O)O)c1.
What is the InChIKey of 3-[3-(methoxymethyl)phenoxy]pyridazine-4-carboxylic acid?
The InChIKey is VKHPEDCLFZUOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-18-8-9-3-2-4-10(7-9)19-12-11(13(16)17)5-6-14-15-12/h2-7H,8H2,1H3,(H,16,17).
What are the key properties of 3-[3-(methoxymethyl)phenoxy]pyridazine-4-carboxylic acid?
3-[3-(methoxymethyl)phenoxy]pyridazine-4-carboxylic acid has a molecular weight of 260.25 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methoxymethyl)phenoxy]pyridazine-4-carboxylic acid is sourced from PubChem (CID 80518415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).