6-(4-fluoro-2-iodoanilino)pyridazine-3-carboxylic acid

C11H7FIN3O2 — CID 79767067

IUPAC6-(4-fluoro-2-iodoanilino)pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(Nc2ccc(F)cc2I)nn1
InChIInChI=1S/C11H7FIN3O2/c12-6-1-2-8(7(13)5-6)14-10-4-3-9(11(17)18)15-16-10/h1-5H,(H,14,16)(H,17,18)
InChIKeyTZQKFIBFQXUQLL-UHFFFAOYSA-N
MW359.10 g/mol
LogP2.66
Rot. Bonds3

About 6-(4-fluoro-2-iodoanilino)pyridazine-3-carboxylic acid

6-(4-fluoro-2-iodoanilino)pyridazine-3-carboxylic acid (PubChem CID 79767067) has the molecular formula C11H7FIN3O2 and a molecular weight of 359.10 g/mol. Its IUPAC name is 6-(4-fluoro-2-iodoanilino)pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-fluoro-2-iodoanilino)pyridazine-3-carboxylic acid
PubChem CID79767067
Molecular FormulaC11H7FIN3O2
Molecular Weight359.10 g/mol
Exact Mass358.96
IUPAC Name6-(4-fluoro-2-iodoanilino)pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(Nc2ccc(F)cc2I)nn1
InChIInChI=1S/C11H7FIN3O2/c12-6-1-2-8(7(13)5-6)14-10-4-3-9(11(17)18)15-16-10/h1-5H,(H,14,16)(H,17,18)
InChIKeyTZQKFIBFQXUQLL-UHFFFAOYSA-N
XLogP2.66
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.10
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-fluoro-2-iodoanilino)pyridine-2-carboxylic acid
CID 104638940
2-(4-fluoro-2-iodoanilino)pyridine-4-carboxylic acid
CID 79766331
[6-(2,4-difluoroanilino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109112053
6-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide
CID 109128560
N-(2-chlorophenyl)-6-(2,4-difluoroanilino)pyridazine-3-carboxamide
CID 109128642
3,5-difluoro-4-(4-fluoro-2-iodoanilino)benzoic acid
CID 79766747
3-fluoro-2-(4-fluoro-2-iodoanilino)benzoic acid
CID 79766985
N-cycloheptyl-6-(2,4-difluoroanilino)pyridazine-3-carboxamide
CID 109125066
N-cyclohexyl-6-(2,4-difluoroanilino)pyridazine-3-carboxamide
CID 109113119
6-(2,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109122195
6-(2,4-difluoroanilino)-N-(2,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109129699
6-[2-chloro-5-(trifluoromethyl)anilino]pyridazine-3-carboxylic acid
CID 60791798

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoro-2-iodoanilino)pyridazine-3-carboxylic acid?
The IUPAC name of 6-(4-fluoro-2-iodoanilino)pyridazine-3-carboxylic acid (CID 79767067) is 6-(4-fluoro-2-iodoanilino)pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-(4-fluoro-2-iodoanilino)pyridazine-3-carboxylic acid?
The canonical SMILES for 6-(4-fluoro-2-iodoanilino)pyridazine-3-carboxylic acid is O=C(O)c1ccc(Nc2ccc(F)cc2I)nn1.
What is the InChIKey of 6-(4-fluoro-2-iodoanilino)pyridazine-3-carboxylic acid?
The InChIKey is TZQKFIBFQXUQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FIN3O2/c12-6-1-2-8(7(13)5-6)14-10-4-3-9(11(17)18)15-16-10/h1-5H,(H,14,16)(H,17,18).
What are the key properties of 6-(4-fluoro-2-iodoanilino)pyridazine-3-carboxylic acid?
6-(4-fluoro-2-iodoanilino)pyridazine-3-carboxylic acid has a molecular weight of 359.10 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-2-iodoanilino)pyridazine-3-carboxylic acid is sourced from PubChem (CID 79767067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).