5-amino-N-(4-fluoro-2-iodophenyl)pyridine-2-carboxamide

C12H9FIN3O — CID 81316083

IUPAC5-amino-N-(4-fluoro-2-iodophenyl)pyridine-2-carboxamide
SMILESNc1ccc(C(=O)Nc2ccc(F)cc2I)nc1
InChIInChI=1S/C12H9FIN3O/c13-7-1-3-10(9(14)5-7)17-12(18)11-4-2-8(15)6-16-11/h1-6H,15H2,(H,17,18)
InChIKeyPXJSOKIEULYNAC-UHFFFAOYSA-N
MW357.13 g/mol
LogP2.66
Rot. Bonds2

About 5-amino-N-(4-fluoro-2-iodophenyl)pyridine-2-carboxamide

5-amino-N-(4-fluoro-2-iodophenyl)pyridine-2-carboxamide (PubChem CID 81316083) has the molecular formula C12H9FIN3O and a molecular weight of 357.13 g/mol. Its IUPAC name is 5-amino-N-(4-fluoro-2-iodophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(4-fluoro-2-iodophenyl)pyridine-2-carboxamide
PubChem CID81316083
Molecular FormulaC12H9FIN3O
Molecular Weight357.13 g/mol
Exact Mass356.98
IUPAC Name5-amino-N-(4-fluoro-2-iodophenyl)pyridine-2-carboxamide
SMILESNc1ccc(C(=O)Nc2ccc(F)cc2I)nc1
InChIInChI=1S/C12H9FIN3O/c13-7-1-3-10(9(14)5-7)17-12(18)11-4-2-8(15)6-16-11/h1-6H,15H2,(H,17,18)
InChIKeyPXJSOKIEULYNAC-UHFFFAOYSA-N
XLogP2.66
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.13
LogP ≤ 52.66
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

5-amino-N-(2-bromo-5-fluorophenyl)pyridine-2-carboxamide
CID 107624285
5-amino-N-(4-fluoro-2-methoxyphenyl)pyridine-2-carboxamide
CID 81317431
2,4-diamino-N-(4-fluoro-2-iodophenyl)benzamide
CID 79768786
5-amino-N-(2,6-dichloro-4-fluorophenyl)pyridine-2-carboxamide
CID 83076458
N-(4-fluoro-2-iodophenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103737179
4-amino-N-(4-fluoro-2-iodophenyl)-6-methylpyridine-3-carboxamide
CID 81245036
2-amino-3-fluoro-N-(4-fluoro-2-iodophenyl)pyridine-4-carboxamide
CID 105386874
4-amino-N-(4-fluoro-2-iodophenyl)-1H-pyrazole-5-carboxamide
CID 79768952
4-fluoro-N-(4-fluoro-2-iodophenyl)benzamide
CID 79768923
N-(4-fluoro-2-iodophenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 79766728
5-(4-fluoro-2-iodoanilino)pyridine-2-carboxylic acid
CID 104638940
4-amino-3-chloro-N-(4-fluoro-2-iodophenyl)benzamide
CID 79769352

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-fluoro-2-iodophenyl)pyridine-2-carboxamide?
The IUPAC name of 5-amino-N-(4-fluoro-2-iodophenyl)pyridine-2-carboxamide (CID 81316083) is 5-amino-N-(4-fluoro-2-iodophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-amino-N-(4-fluoro-2-iodophenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-amino-N-(4-fluoro-2-iodophenyl)pyridine-2-carboxamide is Nc1ccc(C(=O)Nc2ccc(F)cc2I)nc1.
What is the InChIKey of 5-amino-N-(4-fluoro-2-iodophenyl)pyridine-2-carboxamide?
The InChIKey is PXJSOKIEULYNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FIN3O/c13-7-1-3-10(9(14)5-7)17-12(18)11-4-2-8(15)6-16-11/h1-6H,15H2,(H,17,18).
What are the key properties of 5-amino-N-(4-fluoro-2-iodophenyl)pyridine-2-carboxamide?
5-amino-N-(4-fluoro-2-iodophenyl)pyridine-2-carboxamide has a molecular weight of 357.13 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-fluoro-2-iodophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 81316083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).