2-[(4-fluoro-2-iodophenyl)carbamoyl]pyridine-3-carboxylic acid

C13H8FIN2O3 — CID 79768537

IUPAC2-[(4-fluoro-2-iodophenyl)carbamoyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1C(=O)Nc1ccc(F)cc1I
InChIInChI=1S/C13H8FIN2O3/c14-7-3-4-10(9(15)6-7)17-12(18)11-8(13(19)20)2-1-5-16-11/h1-6H,(H,17,18)(H,19,20)
InChIKeyAZGGQLXCHZYWNN-UHFFFAOYSA-N
MW386.12 g/mol
LogP2.78
Rot. Bonds3

About 2-[(4-fluoro-2-iodophenyl)carbamoyl]pyridine-3-carboxylic acid

2-[(4-fluoro-2-iodophenyl)carbamoyl]pyridine-3-carboxylic acid (PubChem CID 79768537) has the molecular formula C13H8FIN2O3 and a molecular weight of 386.12 g/mol. Its IUPAC name is 2-[(4-fluoro-2-iodophenyl)carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(4-fluoro-2-iodophenyl)carbamoyl]pyridine-3-carboxylic acid
PubChem CID79768537
Molecular FormulaC13H8FIN2O3
Molecular Weight386.12 g/mol
Exact Mass385.96
IUPAC Name2-[(4-fluoro-2-iodophenyl)carbamoyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1C(=O)Nc1ccc(F)cc1I
InChIInChI=1S/C13H8FIN2O3/c14-7-3-4-10(9(15)6-7)17-12(18)11-8(13(19)20)2-1-5-16-11/h1-6H,(H,17,18)(H,19,20)
InChIKeyAZGGQLXCHZYWNN-UHFFFAOYSA-N
XLogP2.78
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.12
LogP ≤ 52.78
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-[(2,3-difluorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 63615588
2-[(3,4-difluorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 19154756
2-[(2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270686
3-fluoro-2-(4-fluoro-2-iodoanilino)benzoic acid
CID 79766985
2-[2-(3-fluorophenyl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 63615886
2-(pyren-1-ylcarbamoyl)pyridine-3-carboxylic acid
CID 134087610
2-[(4-chloro-3-pyridinyl)carbamoyl]pyridine-3-carboxylic acid
CID 83165732
2-amino-3-fluoro-N-(4-fluoro-2-iodophenyl)pyridine-4-carboxamide
CID 105386874
2-[(4-carboxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 21231390
4-fluoro-N-(4-fluoro-2-iodophenyl)benzamide
CID 79768923
2-[(3,4-dichlorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270655
2-[[2-(1-hydroxyethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid
CID 63615274

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-2-iodophenyl)carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(4-fluoro-2-iodophenyl)carbamoyl]pyridine-3-carboxylic acid (CID 79768537) is 2-[(4-fluoro-2-iodophenyl)carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(4-fluoro-2-iodophenyl)carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(4-fluoro-2-iodophenyl)carbamoyl]pyridine-3-carboxylic acid is O=C(O)c1cccnc1C(=O)Nc1ccc(F)cc1I.
What is the InChIKey of 2-[(4-fluoro-2-iodophenyl)carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is AZGGQLXCHZYWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FIN2O3/c14-7-3-4-10(9(15)6-7)17-12(18)11-8(13(19)20)2-1-5-16-11/h1-6H,(H,17,18)(H,19,20).
What are the key properties of 2-[(4-fluoro-2-iodophenyl)carbamoyl]pyridine-3-carboxylic acid?
2-[(4-fluoro-2-iodophenyl)carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 386.12 g/mol, XLogP of 2.78, 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-iodophenyl)carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 79768537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).