2-(5-chloro-2-iodophenoxy)benzonitrile

C13H7ClINO — CID 142659292

IUPAC2-(5-chloro-2-iodophenoxy)benzonitrile
SMILESN#Cc1ccccc1Oc1cc(Cl)ccc1I
InChIInChI=1S/C13H7ClINO/c14-10-5-6-11(15)13(7-10)17-12-4-2-1-3-9(12)8-16/h1-7H
InChIKeyLGUMKAINLDMDEW-UHFFFAOYSA-N
MW355.56 g/mol
LogP4.61
Rot. Bonds2

About 2-(5-chloro-2-iodophenoxy)benzonitrile

2-(5-chloro-2-iodophenoxy)benzonitrile (PubChem CID 142659292) has the molecular formula C13H7ClINO and a molecular weight of 355.56 g/mol. Its IUPAC name is 2-(5-chloro-2-iodophenoxy)benzonitrile.

Molecular Properties

Compound Name2-(5-chloro-2-iodophenoxy)benzonitrile
PubChem CID142659292
Molecular FormulaC13H7ClINO
Molecular Weight355.56 g/mol
Exact Mass354.93
IUPAC Name2-(5-chloro-2-iodophenoxy)benzonitrile
SMILESN#Cc1ccccc1Oc1cc(Cl)ccc1I
InChIInChI=1S/C13H7ClINO/c14-10-5-6-11(15)13(7-10)17-12-4-2-1-3-9(12)8-16/h1-7H
InChIKeyLGUMKAINLDMDEW-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-(4-chloro-2-methylphenoxy)benzonitrile
CID 29271397
2-(2-cyanophenoxy)benzonitrile
CID 13435570
4-chloro-2-phenoxybenzonitrile
CID 63093062
4-chloro-2-(2,3-dimethylphenoxy)benzonitrile
CID 63511378
2-[2-(4-chloro-2-cyanophenoxy)phenyl]acetic acid
CID 80742621
4-chloro-2-(3-hydroxy-2-methylphenoxy)benzonitrile
CID 63083316
4-chloro-2-(2-iodophenoxy)aniline
CID 115469275
2-[(2-chloro-5-methyl-4-pyridinyl)oxy]benzonitrile
CID 83266847
2-(2-amino-3-chlorophenoxy)benzonitrile
CID 104834949
2-(3,4-difluorophenoxy)benzonitrile
CID 43429840
2-[3-(hydroxymethyl)-4-iodophenoxy]benzonitrile
CID 175383424
(2-cyanophenyl) hypoiodite
CID 154315791

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-iodophenoxy)benzonitrile?
The IUPAC name of 2-(5-chloro-2-iodophenoxy)benzonitrile (CID 142659292) is 2-(5-chloro-2-iodophenoxy)benzonitrile.
What is the SMILES notation for 2-(5-chloro-2-iodophenoxy)benzonitrile?
The canonical SMILES for 2-(5-chloro-2-iodophenoxy)benzonitrile is N#Cc1ccccc1Oc1cc(Cl)ccc1I.
What is the InChIKey of 2-(5-chloro-2-iodophenoxy)benzonitrile?
The InChIKey is LGUMKAINLDMDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClINO/c14-10-5-6-11(15)13(7-10)17-12-4-2-1-3-9(12)8-16/h1-7H.
What are the key properties of 2-(5-chloro-2-iodophenoxy)benzonitrile?
2-(5-chloro-2-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-(5-chloro-2-iodophenoxy)benzonitrile is sourced from PubChem (CID 142659292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).