5-fluoro-2-(4-fluoro-2-iodoanilino)benzonitrile

C13H7F2IN2 — CID 79766541

IUPAC5-fluoro-2-(4-fluoro-2-iodoanilino)benzonitrile
SMILESN#Cc1cc(F)ccc1Nc1ccc(F)cc1I
InChIInChI=1S/C13H7F2IN2/c14-9-1-3-12(8(5-9)7-17)18-13-4-2-10(15)6-11(13)16/h1-6,18H
InChIKeyXQGMIQOYWFHTBJ-UHFFFAOYSA-N
MW356.11 g/mol
LogP4.18
Rot. Bonds2

About 5-fluoro-2-(4-fluoro-2-iodoanilino)benzonitrile

5-fluoro-2-(4-fluoro-2-iodoanilino)benzonitrile (PubChem CID 79766541) has the molecular formula C13H7F2IN2 and a molecular weight of 356.11 g/mol. Its IUPAC name is 5-fluoro-2-(4-fluoro-2-iodoanilino)benzonitrile.

Molecular Properties

Compound Name5-fluoro-2-(4-fluoro-2-iodoanilino)benzonitrile
PubChem CID79766541
Molecular FormulaC13H7F2IN2
Molecular Weight356.11 g/mol
Exact Mass355.96
IUPAC Name5-fluoro-2-(4-fluoro-2-iodoanilino)benzonitrile
SMILESN#Cc1cc(F)ccc1Nc1ccc(F)cc1I
InChIInChI=1S/C13H7F2IN2/c14-9-1-3-12(8(5-9)7-17)18-13-4-2-10(15)6-11(13)16/h1-6,18H
InChIKeyXQGMIQOYWFHTBJ-UHFFFAOYSA-N
XLogP4.18
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.11
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-fluoro-2-(4-fluoro-2-iodoanilino)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-fluoro-2-iodoanilino)pyridine-4-carbonitrile
CID 113269401
2-(2-amino-4-fluoroanilino)-5-fluorobenzonitrile
CID 82013407
5-fluoro-2-(5-fluoro-2-methylanilino)benzonitrile
CID 63667159
2-(4-chloro-2-fluoroanilino)-5-fluorobenzonitrile
CID 63669042
2-(4-aminoanilino)-5-fluorobenzonitrile
CID 63672563
2-(2,4-dichloroanilino)-5-fluorobenzonitrile
CID 63668512
2-(2-bromoanilino)-5-fluorobenzonitrile
CID 55232513
2-(2,3-difluoroanilino)-5-fluorobenzonitrile
CID 55233913
5-fluoro-2-iodobenzonitrile
CID 34175641
5-fluoro-2-(2,3,5,6-tetrafluoroanilino)benzonitrile
CID 107644805
2-(3,4-difluoroanilino)-5-fluorobenzonitrile
CID 63668514
5-fluoro-2-(3-fluoro-2-methylanilino)benzonitrile
CID 63667348

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(4-fluoro-2-iodoanilino)benzonitrile?
The IUPAC name of 5-fluoro-2-(4-fluoro-2-iodoanilino)benzonitrile (CID 79766541) is 5-fluoro-2-(4-fluoro-2-iodoanilino)benzonitrile.
What is the SMILES notation for 5-fluoro-2-(4-fluoro-2-iodoanilino)benzonitrile?
The canonical SMILES for 5-fluoro-2-(4-fluoro-2-iodoanilino)benzonitrile is N#Cc1cc(F)ccc1Nc1ccc(F)cc1I.
What is the InChIKey of 5-fluoro-2-(4-fluoro-2-iodoanilino)benzonitrile?
The InChIKey is XQGMIQOYWFHTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F2IN2/c14-9-1-3-12(8(5-9)7-17)18-13-4-2-10(15)6-11(13)16/h1-6,18H.
What are the key properties of 5-fluoro-2-(4-fluoro-2-iodoanilino)benzonitrile?
5-fluoro-2-(4-fluoro-2-iodoanilino)benzonitrile has a molecular weight of 356.11 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(4-fluoro-2-iodoanilino)benzonitrile is sourced from PubChem (CID 79766541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).