3-[4-(hydroxymethyl)-2-methoxyphenoxy]pyridazine-4-carboxylic acid

C13H12N2O5 — CID 107744881

IUPAC3-[4-(hydroxymethyl)-2-methoxyphenoxy]pyridazine-4-carboxylic acid
SMILESCOc1cc(CO)ccc1Oc1nnccc1C(=O)O
InChIInChI=1S/C13H12N2O5/c1-19-11-6-8(7-16)2-3-10(11)20-12-9(13(17)18)4-5-14-15-12/h2-6,16H,7H2,1H3,(H,17,18)
InChIKeyYHWXBZWBKSAMTG-UHFFFAOYSA-N
MW276.25 g/mol
LogP1.47
Rot. Bonds5

About 3-[4-(hydroxymethyl)-2-methoxyphenoxy]pyridazine-4-carboxylic acid

3-[4-(hydroxymethyl)-2-methoxyphenoxy]pyridazine-4-carboxylic acid (PubChem CID 107744881) has the molecular formula C13H12N2O5 and a molecular weight of 276.25 g/mol. Its IUPAC name is 3-[4-(hydroxymethyl)-2-methoxyphenoxy]pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-[4-(hydroxymethyl)-2-methoxyphenoxy]pyridazine-4-carboxylic acid
PubChem CID107744881
Molecular FormulaC13H12N2O5
Molecular Weight276.25 g/mol
Exact Mass276.07
IUPAC Name3-[4-(hydroxymethyl)-2-methoxyphenoxy]pyridazine-4-carboxylic acid
SMILESCOc1cc(CO)ccc1Oc1nnccc1C(=O)O
InChIInChI=1S/C13H12N2O5/c1-19-11-6-8(7-16)2-3-10(11)20-12-9(13(17)18)4-5-14-15-12/h2-6,16H,7H2,1H3,(H,17,18)
InChIKeyYHWXBZWBKSAMTG-UHFFFAOYSA-N
XLogP1.47
TPSA101.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(hydroxymethyl)-2-methoxyphenoxy]pyrimidine-4-carboxylic acid
CID 107744872
3-amino-2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzoic acid
CID 107744126
5-amino-6-[4-(hydroxymethyl)-2-methoxyphenoxy]pyridine-2-carboxylic acid
CID 107744136
2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzamide
CID 107743803
2-(4-ethyl-2-methoxyphenoxy)-6-methylpyridine-3-carboxylic acid
CID 107668753
2-chloro-4-[4-(hydroxymethyl)-2-methoxyphenoxy]benzamide
CID 107744001
acetic acid;[5-(hydroxymethyl)-2-methoxyphenyl] acetate
CID 71380784
3-(2-chloro-5-methylphenoxy)pyridazine-4-carboxylic acid
CID 80516980
3-(5-fluoro-2-methylphenoxy)pyridazine-4-carboxylic acid
CID 102987529
[4-[3-(aminomethyl)pyrazin-2-yl]oxy-3-methoxyphenyl]methanol
CID 107742464
4-chloro-2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzamide
CID 107743804
4-(4-ethyl-2-methoxyphenoxy)pyridine-3-carboxylic acid
CID 107664132

Frequently Asked Questions

What is the IUPAC name of 3-[4-(hydroxymethyl)-2-methoxyphenoxy]pyridazine-4-carboxylic acid?
The IUPAC name of 3-[4-(hydroxymethyl)-2-methoxyphenoxy]pyridazine-4-carboxylic acid (CID 107744881) is 3-[4-(hydroxymethyl)-2-methoxyphenoxy]pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-[4-(hydroxymethyl)-2-methoxyphenoxy]pyridazine-4-carboxylic acid?
The canonical SMILES for 3-[4-(hydroxymethyl)-2-methoxyphenoxy]pyridazine-4-carboxylic acid is COc1cc(CO)ccc1Oc1nnccc1C(=O)O.
What is the InChIKey of 3-[4-(hydroxymethyl)-2-methoxyphenoxy]pyridazine-4-carboxylic acid?
The InChIKey is YHWXBZWBKSAMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O5/c1-19-11-6-8(7-16)2-3-10(11)20-12-9(13(17)18)4-5-14-15-12/h2-6,16H,7H2,1H3,(H,17,18).
What are the key properties of 3-[4-(hydroxymethyl)-2-methoxyphenoxy]pyridazine-4-carboxylic acid?
3-[4-(hydroxymethyl)-2-methoxyphenoxy]pyridazine-4-carboxylic acid has a molecular weight of 276.25 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(hydroxymethyl)-2-methoxyphenoxy]pyridazine-4-carboxylic acid is sourced from PubChem (CID 107744881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).