3-(2,3-dimethylphenoxy)pyridazine-4-carboxylic acid

C13H12N2O3 — CID 80517433

IUPAC3-(2,3-dimethylphenoxy)pyridazine-4-carboxylic acid
SMILESCc1cccc(Oc2nnccc2C(=O)O)c1C
InChIInChI=1S/C13H12N2O3/c1-8-4-3-5-11(9(8)2)18-12-10(13(16)17)6-7-14-15-12/h3-7H,1-2H3,(H,16,17)
InChIKeyUEUGVFGHYPVQJL-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.58
Rot. Bonds3

About 3-(2,3-dimethylphenoxy)pyridazine-4-carboxylic acid

3-(2,3-dimethylphenoxy)pyridazine-4-carboxylic acid (PubChem CID 80517433) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 3-(2,3-dimethylphenoxy)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2,3-dimethylphenoxy)pyridazine-4-carboxylic acid
PubChem CID80517433
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name3-(2,3-dimethylphenoxy)pyridazine-4-carboxylic acid
SMILESCc1cccc(Oc2nnccc2C(=O)O)c1C
InChIInChI=1S/C13H12N2O3/c1-8-4-3-5-11(9(8)2)18-12-10(13(16)17)6-7-14-15-12/h3-7H,1-2H3,(H,16,17)
InChIKeyUEUGVFGHYPVQJL-UHFFFAOYSA-N
XLogP2.58
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-fluoro-3-methylphenoxy)pyridazine-4-carboxylic acid
CID 107661523
3-(2-iodophenoxy)pyridazine-4-carboxylic acid
CID 80517144
3-(5-fluoro-2-methylphenoxy)pyridazine-4-carboxylic acid
CID 102987529
3-(4-bromo-3,5-dimethylphenoxy)pyridazine-4-carboxylic acid
CID 107726786
3-(2-chloro-5-methylphenoxy)pyridazine-4-carboxylic acid
CID 80516980
3-(2-chloro-4-methylphenoxy)pyridazine-4-carboxylic acid
CID 80517004
3-(4-chloronaphthalen-1-yl)oxypyridazine-4-carboxylic acid
CID 80515552
3-(1-bromonaphthalen-2-yl)oxypyridazine-4-carboxylic acid
CID 80515853
3-[3-(methoxymethyl)phenoxy]pyridazine-4-carboxylic acid
CID 80518415
4-(2,3-dimethylphenoxy)benzoic acid
CID 20987074
3-[4-(hydroxymethyl)-2-methoxyphenoxy]pyridazine-4-carboxylic acid
CID 107744881
3-(3,6-dimethylpyrazin-2-yl)oxy-2-methylbenzoic acid
CID 82831120

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylphenoxy)pyridazine-4-carboxylic acid?
The IUPAC name of 3-(2,3-dimethylphenoxy)pyridazine-4-carboxylic acid (CID 80517433) is 3-(2,3-dimethylphenoxy)pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-(2,3-dimethylphenoxy)pyridazine-4-carboxylic acid?
The canonical SMILES for 3-(2,3-dimethylphenoxy)pyridazine-4-carboxylic acid is Cc1cccc(Oc2nnccc2C(=O)O)c1C.
What is the InChIKey of 3-(2,3-dimethylphenoxy)pyridazine-4-carboxylic acid?
The InChIKey is UEUGVFGHYPVQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-8-4-3-5-11(9(8)2)18-12-10(13(16)17)6-7-14-15-12/h3-7H,1-2H3,(H,16,17).
What are the key properties of 3-(2,3-dimethylphenoxy)pyridazine-4-carboxylic acid?
3-(2,3-dimethylphenoxy)pyridazine-4-carboxylic acid has a molecular weight of 244.25 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylphenoxy)pyridazine-4-carboxylic acid is sourced from PubChem (CID 80517433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).