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

C13H7ClINO — CID 60701773

IUPAC2-chloro-6-(4-iodophenoxy)benzonitrile
SMILESN#Cc1c(Cl)cccc1Oc1ccc(I)cc1
InChIInChI=1S/C13H7ClINO/c14-12-2-1-3-13(11(12)8-16)17-10-6-4-9(15)5-7-10/h1-7H
InChIKeyGOIACZXSJXGZOO-UHFFFAOYSA-N
MW355.56 g/mol
LogP4.61
Rot. Bonds2

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

2-chloro-6-(4-iodophenoxy)benzonitrile (PubChem CID 60701773) has the molecular formula C13H7ClINO and a molecular weight of 355.56 g/mol. Its IUPAC name is 2-chloro-6-(4-iodophenoxy)benzonitrile.

Molecular Properties

Compound Name2-chloro-6-(4-iodophenoxy)benzonitrile
PubChem CID60701773
Molecular FormulaC13H7ClINO
Molecular Weight355.56 g/mol
Exact Mass354.93
IUPAC Name2-chloro-6-(4-iodophenoxy)benzonitrile
SMILESN#Cc1c(Cl)cccc1Oc1ccc(I)cc1
InChIInChI=1S/C13H7ClINO/c14-12-2-1-3-13(11(12)8-16)17-10-6-4-9(15)5-7-10/h1-7H
InChIKeyGOIACZXSJXGZOO-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'}

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Related Compounds

2-chloro-6-[6-(3-chloro-2-cyanophenoxy)naphthalen-2-yl]oxybenzonitrile
CID 58559891
2-chloro-6-[4-(hydroxymethyl)phenoxy]benzonitrile
CID 62495723
4-(3-chloro-2-cyanophenoxy)benzenesulfinic acid
CID 152770514
2-chloro-6-(4-propoxyphenoxy)benzonitrile
CID 63512370
2-chloro-6-(2-chlorophenoxy)benzonitrile
CID 60701753
2-[4-[4-(3-chloro-2-cyanophenoxy)phenyl]phenoxy]-6-[4-[4-(3-chloro-2-cyanophenoxy)phenyl]sulfonylphenoxy]benzonitrile
CID 21062512
2-(4-bromo-3-methylphenoxy)-6-chlorobenzonitrile
CID 83133521
2-chloro-6-(2,4,5-trichlorophenoxy)benzonitrile
CID 60677682
N-(4-tert-butylphenyl)-4-(3-chloro-2-cyanophenoxy)benzenesulfonamide
CID 3765000
2-chloro-6-[4-[2-[(4-chlorophenyl)methylamino]ethyl]phenoxy]benzonitrile
CID 142989124
2,6-diphenoxybenzonitrile
CID 71353957
3-chloro-4-(4-iodophenoxy)benzonitrile
CID 55221862

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(4-iodophenoxy)benzonitrile?
The IUPAC name of 2-chloro-6-(4-iodophenoxy)benzonitrile (CID 60701773) is 2-chloro-6-(4-iodophenoxy)benzonitrile.
What is the SMILES notation for 2-chloro-6-(4-iodophenoxy)benzonitrile?
The canonical SMILES for 2-chloro-6-(4-iodophenoxy)benzonitrile is N#Cc1c(Cl)cccc1Oc1ccc(I)cc1.
What is the InChIKey of 2-chloro-6-(4-iodophenoxy)benzonitrile?
The InChIKey is GOIACZXSJXGZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClINO/c14-12-2-1-3-13(11(12)8-16)17-10-6-4-9(15)5-7-10/h1-7H.
What are the key properties of 2-chloro-6-(4-iodophenoxy)benzonitrile?
2-chloro-6-(4-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 2-chloro-6-(4-iodophenoxy)benzonitrile is sourced from PubChem (CID 60701773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).