(3-chloro-4-cyanophenyl) hypoiodite

C7H3ClINO — CID 166981251

IUPAC(3-chloro-4-cyanophenyl) hypoiodite
SMILESN#Cc1ccc(OI)cc1Cl
InChIInChI=1S/C7H3ClINO/c8-7-3-6(11-9)2-1-5(7)4-10/h1-3H
InChIKeyCURSBLPAAJDOBD-UHFFFAOYSA-N
MW279.46 g/mol
LogP2.94
Rot. Bonds1

About (3-chloro-4-cyanophenyl) hypoiodite

(3-chloro-4-cyanophenyl) hypoiodite (PubChem CID 166981251) has the molecular formula C7H3ClINO and a molecular weight of 279.46 g/mol. Its IUPAC name is (3-chloro-4-cyanophenyl) hypoiodite.

Molecular Properties

Compound Name(3-chloro-4-cyanophenyl) hypoiodite
PubChem CID166981251
Molecular FormulaC7H3ClINO
Molecular Weight279.46 g/mol
Exact Mass278.89
IUPAC Name(3-chloro-4-cyanophenyl) hypoiodite
SMILESN#Cc1ccc(OI)cc1Cl
InChIInChI=1S/C7H3ClINO/c8-7-3-6(11-9)2-1-5(7)4-10/h1-3H
InChIKeyCURSBLPAAJDOBD-UHFFFAOYSA-N
XLogP2.94
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.46
LogP ≤ 52.94
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-4-ethenoxybenzonitrile
CID 130564228
(3-chloro-4-cyanophenoxy)boronic acid
CID 142717961
4-(4-aminophenoxy)-2-chlorobenzonitrile
CID 62945049
(3,4-dichlorophenyl) hypoiodite
CID 142013696
2-chloro-4-(2-hydroxyethoxy)benzonitrile
CID 62948337
2-chloro-4-(3-iodo-2,2,4,4-tetramethylcyclobutyl)oxybenzonitrile
CID 163531856
2-chloro-4-(2,4-dichlorophenoxy)benzonitrile
CID 21429570
2-chloro-4-(2-ethylbutoxy)benzonitrile
CID 102724077
2-chloro-4-(2-methylbutan-2-yloxy)benzonitrile
CID 62948673
2-chloro-4-[(4-chlorophenyl)methoxy]benzonitrile
CID 65126447
4-[4-(bromomethyl)-3-chlorophenoxy]-2-chlorobenzonitrile
CID 66697120
2-chloro-4-(oxiran-2-ylmethoxy)benzonitrile
CID 87485257

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-cyanophenyl) hypoiodite?
The IUPAC name of (3-chloro-4-cyanophenyl) hypoiodite (CID 166981251) is (3-chloro-4-cyanophenyl) hypoiodite.
What is the SMILES notation for (3-chloro-4-cyanophenyl) hypoiodite?
The canonical SMILES for (3-chloro-4-cyanophenyl) hypoiodite is N#Cc1ccc(OI)cc1Cl.
What is the InChIKey of (3-chloro-4-cyanophenyl) hypoiodite?
The InChIKey is CURSBLPAAJDOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClINO/c8-7-3-6(11-9)2-1-5(7)4-10/h1-3H.
What are the key properties of (3-chloro-4-cyanophenyl) hypoiodite?
(3-chloro-4-cyanophenyl) hypoiodite has a molecular weight of 279.46 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-cyanophenyl) hypoiodite is sourced from PubChem (CID 166981251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).