2-(4-fluoro-2-iodoanilino)pyridine-4-carboxylic acid

C12H8FIN2O2 — CID 79766331

IUPAC2-(4-fluoro-2-iodoanilino)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(Nc2ccc(F)cc2I)c1
InChIInChI=1S/C12H8FIN2O2/c13-8-1-2-10(9(14)6-8)16-11-5-7(12(17)18)3-4-15-11/h1-6H,(H,15,16)(H,17,18)
InChIKeyYZZFUTBYQFBFOS-UHFFFAOYSA-N
MW358.11 g/mol
LogP3.27
Rot. Bonds3

About 2-(4-fluoro-2-iodoanilino)pyridine-4-carboxylic acid

2-(4-fluoro-2-iodoanilino)pyridine-4-carboxylic acid (PubChem CID 79766331) has the molecular formula C12H8FIN2O2 and a molecular weight of 358.11 g/mol. Its IUPAC name is 2-(4-fluoro-2-iodoanilino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluoro-2-iodoanilino)pyridine-4-carboxylic acid
PubChem CID79766331
Molecular FormulaC12H8FIN2O2
Molecular Weight358.11 g/mol
Exact Mass357.96
IUPAC Name2-(4-fluoro-2-iodoanilino)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(Nc2ccc(F)cc2I)c1
InChIInChI=1S/C12H8FIN2O2/c13-8-1-2-10(9(14)6-8)16-11-5-7(12(17)18)3-4-15-11/h1-6H,(H,15,16)(H,17,18)
InChIKeyYZZFUTBYQFBFOS-UHFFFAOYSA-N
XLogP3.27
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.11
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloro-5-fluoroanilino)pyridine-4-carboxylic acid
CID 107528839
2-(2,4,5-trifluoroanilino)pyridine-4-carboxylic acid
CID 62815223
2-(4-fluoro-2-iodoanilino)pyridine-4-carbonitrile
CID 79766787
3,5-difluoro-4-(4-fluoro-2-iodoanilino)benzoic acid
CID 79766747
6-(4-fluoro-2-iodoanilino)pyridazine-3-carboxylic acid
CID 79767067
5-(4-fluoro-2-iodoanilino)pyridine-2-carboxylic acid
CID 104638940
2-[4-chloro-2-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
CID 28537506
6-(4-fluoro-2-iodoanilino)-5-nitropyridine-3-carboxylic acid
CID 81447500
2-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide
CID 174673657
4-N-(4-fluoro-2-iodophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80849441
2-hydrazinylpyridine-4-carboxylic acid
CID 26967246
5-[(4-fluoro-2-iodophenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 79769700

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-iodoanilino)pyridine-4-carboxylic acid?
The IUPAC name of 2-(4-fluoro-2-iodoanilino)pyridine-4-carboxylic acid (CID 79766331) is 2-(4-fluoro-2-iodoanilino)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(4-fluoro-2-iodoanilino)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(4-fluoro-2-iodoanilino)pyridine-4-carboxylic acid is O=C(O)c1ccnc(Nc2ccc(F)cc2I)c1.
What is the InChIKey of 2-(4-fluoro-2-iodoanilino)pyridine-4-carboxylic acid?
The InChIKey is YZZFUTBYQFBFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FIN2O2/c13-8-1-2-10(9(14)6-8)16-11-5-7(12(17)18)3-4-15-11/h1-6H,(H,15,16)(H,17,18).
What are the key properties of 2-(4-fluoro-2-iodoanilino)pyridine-4-carboxylic acid?
2-(4-fluoro-2-iodoanilino)pyridine-4-carboxylic acid has a molecular weight of 358.11 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-iodoanilino)pyridine-4-carboxylic acid is sourced from PubChem (CID 79766331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).