3-(2-iodophenoxy)pyridazine-4-carboxylic acid

C11H7IN2O3 — CID 80517144

IUPAC3-(2-iodophenoxy)pyridazine-4-carboxylic acid
SMILESO=C(O)c1ccnnc1Oc1ccccc1I
InChIInChI=1S/C11H7IN2O3/c12-8-3-1-2-4-9(8)17-10-7(11(15)16)5-6-13-14-10/h1-6H,(H,15,16)
InChIKeyFGIABYWWEHYVLX-UHFFFAOYSA-N
MW342.09 g/mol
LogP2.57
Rot. Bonds3

About 3-(2-iodophenoxy)pyridazine-4-carboxylic acid

3-(2-iodophenoxy)pyridazine-4-carboxylic acid (PubChem CID 80517144) has the molecular formula C11H7IN2O3 and a molecular weight of 342.09 g/mol. Its IUPAC name is 3-(2-iodophenoxy)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-iodophenoxy)pyridazine-4-carboxylic acid
PubChem CID80517144
Molecular FormulaC11H7IN2O3
Molecular Weight342.09 g/mol
Exact Mass341.95
IUPAC Name3-(2-iodophenoxy)pyridazine-4-carboxylic acid
SMILESO=C(O)c1ccnnc1Oc1ccccc1I
InChIInChI=1S/C11H7IN2O3/c12-8-3-1-2-4-9(8)17-10-7(11(15)16)5-6-13-14-10/h1-6H,(H,15,16)
InChIKeyFGIABYWWEHYVLX-UHFFFAOYSA-N
XLogP2.57
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.09
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-(2,3-dimethylphenoxy)pyridazine-4-carboxylic acid
CID 80517433
3-(2-fluoro-3-methylphenoxy)pyridazine-4-carboxylic acid
CID 107661523
3-(4-chloronaphthalen-1-yl)oxypyridazine-4-carboxylic acid
CID 80515552
3-(5-fluoro-2-methylphenoxy)pyridazine-4-carboxylic acid
CID 102987529
3-(1-bromonaphthalen-2-yl)oxypyridazine-4-carboxylic acid
CID 80515853
3-(2-chloro-4-methylphenoxy)pyridazine-4-carboxylic acid
CID 80517004
3-(2-chloro-5-methylphenoxy)pyridazine-4-carboxylic acid
CID 80516980
3-[4-(hydroxymethyl)-2-methoxyphenoxy]pyridazine-4-carboxylic acid
CID 107744881
3-(4-bromo-3,5-dimethylphenoxy)pyridazine-4-carboxylic acid
CID 107726786
3-[3-(methoxymethyl)phenoxy]pyridazine-4-carboxylic acid
CID 80518415
3-quinolin-3-yloxypyridazine-4-carboxylic acid
CID 107387979
2-(2-iodophenoxy)-5-nitropyridine-3-carboxylic acid
CID 104629516

Frequently Asked Questions

What is the IUPAC name of 3-(2-iodophenoxy)pyridazine-4-carboxylic acid?
The IUPAC name of 3-(2-iodophenoxy)pyridazine-4-carboxylic acid (CID 80517144) is 3-(2-iodophenoxy)pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-(2-iodophenoxy)pyridazine-4-carboxylic acid?
The canonical SMILES for 3-(2-iodophenoxy)pyridazine-4-carboxylic acid is O=C(O)c1ccnnc1Oc1ccccc1I.
What is the InChIKey of 3-(2-iodophenoxy)pyridazine-4-carboxylic acid?
The InChIKey is FGIABYWWEHYVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7IN2O3/c12-8-3-1-2-4-9(8)17-10-7(11(15)16)5-6-13-14-10/h1-6H,(H,15,16).
What are the key properties of 3-(2-iodophenoxy)pyridazine-4-carboxylic acid?
3-(2-iodophenoxy)pyridazine-4-carboxylic acid has a molecular weight of 342.09 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-iodophenoxy)pyridazine-4-carboxylic acid is sourced from PubChem (CID 80517144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).