5-(4-fluoro-2-iodoanilino)pyridine-2-carboxylic acid

C12H8FIN2O2 — CID 104638940

IUPAC5-(4-fluoro-2-iodoanilino)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(Nc2ccc(F)cc2I)cn1
InChIInChI=1S/C12H8FIN2O2/c13-7-1-3-10(9(14)5-7)16-8-2-4-11(12(17)18)15-6-8/h1-6,16H,(H,17,18)
InChIKeyFOSYLSOSSLNHHM-UHFFFAOYSA-N
MW358.11 g/mol
LogP3.27
Rot. Bonds3

About 5-(4-fluoro-2-iodoanilino)pyridine-2-carboxylic acid

5-(4-fluoro-2-iodoanilino)pyridine-2-carboxylic acid (PubChem CID 104638940) has the molecular formula C12H8FIN2O2 and a molecular weight of 358.11 g/mol. Its IUPAC name is 5-(4-fluoro-2-iodoanilino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-fluoro-2-iodoanilino)pyridine-2-carboxylic acid
PubChem CID104638940
Molecular FormulaC12H8FIN2O2
Molecular Weight358.11 g/mol
Exact Mass357.96
IUPAC Name5-(4-fluoro-2-iodoanilino)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(Nc2ccc(F)cc2I)cn1
InChIInChI=1S/C12H8FIN2O2/c13-7-1-3-10(9(14)5-7)16-8-2-4-11(12(17)18)15-6-8/h1-6,16H,(H,17,18)
InChIKeyFOSYLSOSSLNHHM-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

6-(4-fluoro-2-iodoanilino)pyridazine-3-carboxylic acid
CID 79767067
5-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109198992
5-amino-N-(4-fluoro-2-iodophenyl)pyridine-2-carboxamide
CID 81316083
5-anilino-N-(2,4-difluorophenyl)pyridine-2-carboxamide
CID 109197129
2-(4-fluoro-2-iodoanilino)pyridine-4-carboxylic acid
CID 79766331
N-(2,4-difluorophenyl)-5-(2,4-dimethylanilino)pyridine-2-carboxamide
CID 109198012
N-tert-butyl-5-(2,4-difluoroanilino)pyridine-2-carboxamide
CID 109195143
5-(2,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
CID 109198177
3,5-difluoro-4-(4-fluoro-2-iodoanilino)benzoic acid
CID 79766747
5-(2,4-difluoroanilino)-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109199705
N-(3-chlorophenyl)-5-(2,4-difluoroanilino)pyridine-2-carboxamide
CID 109199191
5-(2-chloro-4-cyanoanilino)pyridine-2-carboxylic acid
CID 114003530

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-2-iodoanilino)pyridine-2-carboxylic acid?
The IUPAC name of 5-(4-fluoro-2-iodoanilino)pyridine-2-carboxylic acid (CID 104638940) is 5-(4-fluoro-2-iodoanilino)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(4-fluoro-2-iodoanilino)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(4-fluoro-2-iodoanilino)pyridine-2-carboxylic acid is O=C(O)c1ccc(Nc2ccc(F)cc2I)cn1.
What is the InChIKey of 5-(4-fluoro-2-iodoanilino)pyridine-2-carboxylic acid?
The InChIKey is FOSYLSOSSLNHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FIN2O2/c13-7-1-3-10(9(14)5-7)16-8-2-4-11(12(17)18)15-6-8/h1-6,16H,(H,17,18).
What are the key properties of 5-(4-fluoro-2-iodoanilino)pyridine-2-carboxylic acid?
5-(4-fluoro-2-iodoanilino)pyridine-2-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 5-(4-fluoro-2-iodoanilino)pyridine-2-carboxylic acid is sourced from PubChem (CID 104638940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).