4-(4-chloro-3-iodophenoxy)benzonitrile

C13H7ClINO — CID 59601645

IUPAC4-(4-chloro-3-iodophenoxy)benzonitrile
SMILESN#Cc1ccc(Oc2ccc(Cl)c(I)c2)cc1
InChIInChI=1S/C13H7ClINO/c14-12-6-5-11(7-13(12)15)17-10-3-1-9(8-16)2-4-10/h1-7H
InChIKeyZTQKALNGAFZVQB-UHFFFAOYSA-N
MW355.56 g/mol
LogP4.61
Rot. Bonds2

About 4-(4-chloro-3-iodophenoxy)benzonitrile

4-(4-chloro-3-iodophenoxy)benzonitrile (PubChem CID 59601645) has the molecular formula C13H7ClINO and a molecular weight of 355.56 g/mol. Its IUPAC name is 4-(4-chloro-3-iodophenoxy)benzonitrile.

Molecular Properties

Compound Name4-(4-chloro-3-iodophenoxy)benzonitrile
PubChem CID59601645
Molecular FormulaC13H7ClINO
Molecular Weight355.56 g/mol
Exact Mass354.93
IUPAC Name4-(4-chloro-3-iodophenoxy)benzonitrile
SMILESN#Cc1ccc(Oc2ccc(Cl)c(I)c2)cc1
InChIInChI=1S/C13H7ClINO/c14-12-6-5-11(7-13(12)15)17-10-3-1-9(8-16)2-4-10/h1-7H
InChIKeyZTQKALNGAFZVQB-UHFFFAOYSA-N
XLogP4.61
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.56
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(4-chloro-3-iodophenoxy)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

4-chloro-3-iodobenzonitrile
CID 16659396
4-(3-iodophenoxy)benzonitrile
CID 43137980
argon;4-(4-chlorophenoxy)benzonitrile
CID 158538207
4-[3-(hydroxymethyl)-4-iodophenoxy]benzonitrile
CID 165180431
4-[3-chloro-4-(chloromethyl)phenoxy]benzonitrile
CID 114064507
4-(3-chloro-4-methylsulfanylphenoxy)benzonitrile
CID 66844095
3-chloro-4-(4-iodophenoxy)benzonitrile
CID 55221862
4-(3-methoxyphenoxy)benzonitrile
CID 15643687
4-[3-chloro-5-fluoro-4-(trifluoromethyl)phenoxy]benzonitrile
CID 140975826
4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]benzonitrile
CID 58974961
4-(3-fluoro-4-methylphenoxy)benzonitrile
CID 107169205
4-(3,4-dichlorophenoxy)-3-fluorobenzonitrile
CID 54897766

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-iodophenoxy)benzonitrile?
The IUPAC name of 4-(4-chloro-3-iodophenoxy)benzonitrile (CID 59601645) is 4-(4-chloro-3-iodophenoxy)benzonitrile.
What is the SMILES notation for 4-(4-chloro-3-iodophenoxy)benzonitrile?
The canonical SMILES for 4-(4-chloro-3-iodophenoxy)benzonitrile is N#Cc1ccc(Oc2ccc(Cl)c(I)c2)cc1.
What is the InChIKey of 4-(4-chloro-3-iodophenoxy)benzonitrile?
The InChIKey is ZTQKALNGAFZVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClINO/c14-12-6-5-11(7-13(12)15)17-10-3-1-9(8-16)2-4-10/h1-7H.
What are the key properties of 4-(4-chloro-3-iodophenoxy)benzonitrile?
4-(4-chloro-3-iodophenoxy)benzonitrile has a molecular weight of 355.56 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-iodophenoxy)benzonitrile is sourced from PubChem (CID 59601645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).