4-(2-amino-3-iodoanilino)benzonitrile

C13H10IN3 — CID 57195798

IUPAC4-(2-amino-3-iodoanilino)benzonitrile
SMILESN#Cc1ccc(Nc2cccc(I)c2N)cc1
InChIInChI=1S/C13H10IN3/c14-11-2-1-3-12(13(11)16)17-10-6-4-9(8-15)5-7-10/h1-7,17H,16H2
InChIKeyRKTJANOMTAUIAZ-UHFFFAOYSA-N
MW335.15 g/mol
LogP3.49
Rot. Bonds2

About 4-(2-amino-3-iodoanilino)benzonitrile

4-(2-amino-3-iodoanilino)benzonitrile (PubChem CID 57195798) has the molecular formula C13H10IN3 and a molecular weight of 335.15 g/mol. Its IUPAC name is 4-(2-amino-3-iodoanilino)benzonitrile.

Molecular Properties

Compound Name4-(2-amino-3-iodoanilino)benzonitrile
PubChem CID57195798
Molecular FormulaC13H10IN3
Molecular Weight335.15 g/mol
Exact Mass334.99
IUPAC Name4-(2-amino-3-iodoanilino)benzonitrile
SMILESN#Cc1ccc(Nc2cccc(I)c2N)cc1
InChIInChI=1S/C13H10IN3/c14-11-2-1-3-12(13(11)16)17-10-6-4-9(8-15)5-7-10/h1-7,17H,16H2
InChIKeyRKTJANOMTAUIAZ-UHFFFAOYSA-N
XLogP3.49
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.15
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(4-cyanoanilino)benzoic acid
CID 113332473
4-(2,3-difluoroanilino)benzonitrile
CID 61076836
4-(4-iodoanilino)benzonitrile
CID 28976683
4-(3-chloro-2-methylanilino)benzonitrile
CID 29031552
4-[4-[2-[3-(3-phenylphenyl)phenyl]anilino]phenyl]benzonitrile
CID 118675019
4-[(9,9-dimethylfluoren-4-yl)amino]benzonitrile
CID 122666287
2-amino-3-(4-methoxyanilino)benzonitrile
CID 104716194
4-(5-amino-2-methylanilino)benzonitrile
CID 62588662
4-(2-amino-6-fluoroanilino)benzonitrile
CID 112740450
4-(2-amino-4-chloroanilino)benzonitrile
CID 29067290
4-(2-amino-4,5-dimethoxyanilino)benzonitrile
CID 83001038
2-amino-3-(4-cyano-2-fluoroanilino)benzonitrile
CID 104716975

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-3-iodoanilino)benzonitrile?
The IUPAC name of 4-(2-amino-3-iodoanilino)benzonitrile (CID 57195798) is 4-(2-amino-3-iodoanilino)benzonitrile.
What is the SMILES notation for 4-(2-amino-3-iodoanilino)benzonitrile?
The canonical SMILES for 4-(2-amino-3-iodoanilino)benzonitrile is N#Cc1ccc(Nc2cccc(I)c2N)cc1.
What is the InChIKey of 4-(2-amino-3-iodoanilino)benzonitrile?
The InChIKey is RKTJANOMTAUIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10IN3/c14-11-2-1-3-12(13(11)16)17-10-6-4-9(8-15)5-7-10/h1-7,17H,16H2.
What are the key properties of 4-(2-amino-3-iodoanilino)benzonitrile?
4-(2-amino-3-iodoanilino)benzonitrile has a molecular weight of 335.15 g/mol, XLogP of 3.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-3-iodoanilino)benzonitrile is sourced from PubChem (CID 57195798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).