2-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide

C12H9FIN3O — CID 174673657

IUPAC2-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide
SMILESNC(=O)c1ccnc(Nc2ccc(I)cc2F)c1
InChIInChI=1S/C12H9FIN3O/c13-9-6-8(14)1-2-10(9)17-11-5-7(12(15)18)3-4-16-11/h1-6H,(H2,15,18)(H,16,17)
InChIKeyRUYVWGLAIAMGJJ-UHFFFAOYSA-N
MW357.13 g/mol
LogP2.67
Rot. Bonds3

About 2-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide

2-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide (PubChem CID 174673657) has the molecular formula C12H9FIN3O and a molecular weight of 357.13 g/mol. Its IUPAC name is 2-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide
PubChem CID174673657
Molecular FormulaC12H9FIN3O
Molecular Weight357.13 g/mol
Exact Mass356.98
IUPAC Name2-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide
SMILESNC(=O)c1ccnc(Nc2ccc(I)cc2F)c1
InChIInChI=1S/C12H9FIN3O/c13-9-6-8(14)1-2-10(9)17-11-5-7(12(15)18)3-4-16-11/h1-6H,(H2,15,18)(H,16,17)
InChIKeyRUYVWGLAIAMGJJ-UHFFFAOYSA-N
XLogP2.67
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.13
LogP ≤ 52.67
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

2,4-difluoro-6-(2-fluoro-4-iodoanilino)benzamide
CID 71580064
2-(2,4,5-trifluoroanilino)pyridine-4-carboxylic acid
CID 62815223
2-(4-fluoro-2-iodoanilino)pyridine-4-carboxylic acid
CID 79766331
2-(methylamino)pyridine-4-carboxamide
CID 45084294
methyl 2-(2-bromo-5-iodoanilino)pyridine-4-carboxylate
CID 114260440
2-(carbamothioylamino)pyridine-4-carboxamide
CID 175468942
N-(2-cyanophenyl)-2-(2,4-difluoroanilino)pyridine-4-carboxamide
CID 109178899
2-(2,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyridine-4-carboxamide
CID 109176722
2-(2,4-difluoroanilino)-N,N-dipropylpyridine-4-carboxamide
CID 109175877
1-(2-fluoro-4-iodophenyl)-3-pyrazin-2-ylurea
CID 110492640
2-(2,4-difluoroanilino)-N-(2,4-dimethoxyphenyl)pyridine-4-carboxamide
CID 109178357
N-(3-chloro-4-fluorophenyl)-2-(2,4-difluoroanilino)pyridine-4-carboxamide
CID 109177743

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide?
The IUPAC name of 2-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide (CID 174673657) is 2-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide.
What is the SMILES notation for 2-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide?
The canonical SMILES for 2-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide is NC(=O)c1ccnc(Nc2ccc(I)cc2F)c1.
What is the InChIKey of 2-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide?
The InChIKey is RUYVWGLAIAMGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FIN3O/c13-9-6-8(14)1-2-10(9)17-11-5-7(12(15)18)3-4-16-11/h1-6H,(H2,15,18)(H,16,17).
What are the key properties of 2-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide?
2-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide has a molecular weight of 357.13 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide is sourced from PubChem (CID 174673657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).