3-(4-fluoro-2-iodoanilino)pyridine-4-carbonitrile

C12H7FIN3 — CID 113269401

IUPAC3-(4-fluoro-2-iodoanilino)pyridine-4-carbonitrile
SMILESN#Cc1ccncc1Nc1ccc(F)cc1I
InChIInChI=1S/C12H7FIN3/c13-9-1-2-11(10(14)5-9)17-12-7-16-4-3-8(12)6-15/h1-5,7,17H
InChIKeyDBFWHOYKBQTKRW-UHFFFAOYSA-N
MW339.11 g/mol
LogP3.44
Rot. Bonds2

About 3-(4-fluoro-2-iodoanilino)pyridine-4-carbonitrile

3-(4-fluoro-2-iodoanilino)pyridine-4-carbonitrile (PubChem CID 113269401) has the molecular formula C12H7FIN3 and a molecular weight of 339.11 g/mol. Its IUPAC name is 3-(4-fluoro-2-iodoanilino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-(4-fluoro-2-iodoanilino)pyridine-4-carbonitrile
PubChem CID113269401
Molecular FormulaC12H7FIN3
Molecular Weight339.11 g/mol
Exact Mass338.97
IUPAC Name3-(4-fluoro-2-iodoanilino)pyridine-4-carbonitrile
SMILESN#Cc1ccncc1Nc1ccc(F)cc1I
InChIInChI=1S/C12H7FIN3/c13-9-1-2-11(10(14)5-9)17-12-7-16-4-3-8(12)6-15/h1-5,7,17H
InChIKeyDBFWHOYKBQTKRW-UHFFFAOYSA-N
XLogP3.44
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.11
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-(4-fluoro-2-iodoanilino)benzonitrile
CID 79766541
ethane;3-(2-fluoro-4-methylanilino)pyridine-4-carbonitrile
CID 176938978
3-(3-fluoro-5-methylanilino)pyridine-4-carbonitrile
CID 113269395
2-(4-fluoro-2-iodoanilino)pyridine-4-carbonitrile
CID 79766787
3-(2-bromo-4-chloroanilino)pyridine-4-carbonitrile
CID 113269414
N-(2-cyano-4-fluorophenyl)-3-hydrazinylpyridine-4-carboxamide
CID 105072391
N-(2-cyano-4-fluorophenyl)-3-fluoropyridine-4-carboxamide
CID 79953368
3-(4-fluoro-2-iodoanilino)benzonitrile
CID 102816826
3-(2,4-difluorophenoxy)pyridine-4-carbonitrile
CID 113269432
3,5-difluoro-1-N-(4-fluoro-2-iodophenyl)benzene-1,2-diamine
CID 113325343
4-fluoro-N-(2-fluorophenyl)-2-iodoaniline
CID 152736255
4-chloro-N-(4-fluoro-2-iodophenyl)pyridine-3-sulfonamide
CID 79768669

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2-iodoanilino)pyridine-4-carbonitrile?
The IUPAC name of 3-(4-fluoro-2-iodoanilino)pyridine-4-carbonitrile (CID 113269401) is 3-(4-fluoro-2-iodoanilino)pyridine-4-carbonitrile.
What is the SMILES notation for 3-(4-fluoro-2-iodoanilino)pyridine-4-carbonitrile?
The canonical SMILES for 3-(4-fluoro-2-iodoanilino)pyridine-4-carbonitrile is N#Cc1ccncc1Nc1ccc(F)cc1I.
What is the InChIKey of 3-(4-fluoro-2-iodoanilino)pyridine-4-carbonitrile?
The InChIKey is DBFWHOYKBQTKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FIN3/c13-9-1-2-11(10(14)5-9)17-12-7-16-4-3-8(12)6-15/h1-5,7,17H.
What are the key properties of 3-(4-fluoro-2-iodoanilino)pyridine-4-carbonitrile?
3-(4-fluoro-2-iodoanilino)pyridine-4-carbonitrile has a molecular weight of 339.11 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2-iodoanilino)pyridine-4-carbonitrile is sourced from PubChem (CID 113269401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).