4-(aminooxymethyl)-3-iodobenzonitrile

C8H7IN2O — CID 58989999

IUPAC4-(aminooxymethyl)-3-iodobenzonitrile
SMILESN#Cc1ccc(CON)c(I)c1
InChIInChI=1S/C8H7IN2O/c9-8-3-6(4-10)1-2-7(8)5-12-11/h1-3H,5,11H2
InChIKeyZCVYKGQUFKJAAY-UHFFFAOYSA-N
MW274.06 g/mol
LogP1.55
Rot. Bonds2

About 4-(aminooxymethyl)-3-iodobenzonitrile

4-(aminooxymethyl)-3-iodobenzonitrile (PubChem CID 58989999) has the molecular formula C8H7IN2O and a molecular weight of 274.06 g/mol. Its IUPAC name is 4-(aminooxymethyl)-3-iodobenzonitrile.

Molecular Properties

Compound Name4-(aminooxymethyl)-3-iodobenzonitrile
PubChem CID58989999
Molecular FormulaC8H7IN2O
Molecular Weight274.06 g/mol
Exact Mass273.96
IUPAC Name4-(aminooxymethyl)-3-iodobenzonitrile
SMILESN#Cc1ccc(CON)c(I)c1
InChIInChI=1S/C8H7IN2O/c9-8-3-6(4-10)1-2-7(8)5-12-11/h1-3H,5,11H2
InChIKeyZCVYKGQUFKJAAY-UHFFFAOYSA-N
XLogP1.55
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.06
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(aminooxymethyl)-3-bromobenzonitrile
CID 130051911
4-(2-bromoethyl)-3-iodobenzonitrile
CID 174450603
4-(aminooxymethyl)-3-propan-2-yloxybenzonitrile
CID 69433207
3-iodo-4-sulfanylbenzonitrile
CID 91874029
4-amino-3-iodobenzonitrile;hydroiodide
CID 161496000
4-chloro-3-iodobenzonitrile
CID 16659396
O-[(5-fluoro-2-iodophenyl)methyl]hydroxylamine
CID 130051922
4-[4-[[4-(4-cyano-2,6-diiodophenyl)-2-iodophenyl]methyl]-3-iodophenyl]-3,5-diiodobenzonitrile
CID 134365814
3-fluoro-4-iodobenzonitrile
CID 24721521
3-bromo-4-iodobenzonitrile
CID 26598355
6-(aminooxymethyl)pyridine-3-carbonitrile
CID 59479137
4-(aminomethyl)-3-methoxybenzonitrile
CID 18424090

Frequently Asked Questions

What is the IUPAC name of 4-(aminooxymethyl)-3-iodobenzonitrile?
The IUPAC name of 4-(aminooxymethyl)-3-iodobenzonitrile (CID 58989999) is 4-(aminooxymethyl)-3-iodobenzonitrile.
What is the SMILES notation for 4-(aminooxymethyl)-3-iodobenzonitrile?
The canonical SMILES for 4-(aminooxymethyl)-3-iodobenzonitrile is N#Cc1ccc(CON)c(I)c1.
What is the InChIKey of 4-(aminooxymethyl)-3-iodobenzonitrile?
The InChIKey is ZCVYKGQUFKJAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7IN2O/c9-8-3-6(4-10)1-2-7(8)5-12-11/h1-3H,5,11H2.
What are the key properties of 4-(aminooxymethyl)-3-iodobenzonitrile?
4-(aminooxymethyl)-3-iodobenzonitrile has a molecular weight of 274.06 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminooxymethyl)-3-iodobenzonitrile is sourced from PubChem (CID 58989999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).