2-chloro-6-(4-iodoanilino)benzonitrile

C13H8ClIN2 — CID 55195945

IUPAC2-chloro-6-(4-iodoanilino)benzonitrile
SMILESN#Cc1c(Cl)cccc1Nc1ccc(I)cc1
InChIInChI=1S/C13H8ClIN2/c14-12-2-1-3-13(11(12)8-16)17-10-6-4-9(15)5-7-10/h1-7,17H
InChIKeyNZQXOYCZQLZAFD-UHFFFAOYSA-N
MW354.58 g/mol
LogP4.56
Rot. Bonds2

About 2-chloro-6-(4-iodoanilino)benzonitrile

2-chloro-6-(4-iodoanilino)benzonitrile (PubChem CID 55195945) has the molecular formula C13H8ClIN2 and a molecular weight of 354.58 g/mol. Its IUPAC name is 2-chloro-6-(4-iodoanilino)benzonitrile.

Molecular Properties

Compound Name2-chloro-6-(4-iodoanilino)benzonitrile
PubChem CID55195945
Molecular FormulaC13H8ClIN2
Molecular Weight354.58 g/mol
Exact Mass353.94
IUPAC Name2-chloro-6-(4-iodoanilino)benzonitrile
SMILESN#Cc1c(Cl)cccc1Nc1ccc(I)cc1
InChIInChI=1S/C13H8ClIN2/c14-12-2-1-3-13(11(12)8-16)17-10-6-4-9(15)5-7-10/h1-7,17H
InChIKeyNZQXOYCZQLZAFD-UHFFFAOYSA-N
XLogP4.56
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.58
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-6-(4-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

2-(3-bromo-4-iodoanilino)-6-chlorobenzonitrile
CID 114262114
2-chloro-6-(2,6-dichloroanilino)benzonitrile
CID 65468244
2-(3-bromo-4-fluoroanilino)-6-chlorobenzonitrile
CID 104778816
2-(3-bromo-2-methylanilino)-6-chlorobenzonitrile
CID 107635100
2-chloro-6-[4-methyl-3-(trifluoromethyl)anilino]benzonitrile
CID 63511488
2-chloro-6-hydrazinylbenzonitrile;hydrochloride
CID 53416800
2-(2-bromo-5-chloro-4-methylanilino)-6-chlorobenzonitrile
CID 104723788
2-(3-chloro-4-fluoroanilino)-6-fluorobenzonitrile
CID 78911086
2-chloro-6-(4-iodophenoxy)benzonitrile
CID 60701773
5-chloro-2-(4-iodoanilino)benzonitrile
CID 63510924
4-(3-chloro-2-methylanilino)benzonitrile
CID 29031552
2-chloro-6-(2,4-dibromo-5-methoxyanilino)benzonitrile
CID 103414163

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(4-iodoanilino)benzonitrile?
The IUPAC name of 2-chloro-6-(4-iodoanilino)benzonitrile (CID 55195945) is 2-chloro-6-(4-iodoanilino)benzonitrile.
What is the SMILES notation for 2-chloro-6-(4-iodoanilino)benzonitrile?
The canonical SMILES for 2-chloro-6-(4-iodoanilino)benzonitrile is N#Cc1c(Cl)cccc1Nc1ccc(I)cc1.
What is the InChIKey of 2-chloro-6-(4-iodoanilino)benzonitrile?
The InChIKey is NZQXOYCZQLZAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClIN2/c14-12-2-1-3-13(11(12)8-16)17-10-6-4-9(15)5-7-10/h1-7,17H.
What are the key properties of 2-chloro-6-(4-iodoanilino)benzonitrile?
2-chloro-6-(4-iodoanilino)benzonitrile has a molecular weight of 354.58 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(4-iodoanilino)benzonitrile is sourced from PubChem (CID 55195945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).