4-methyliodanuidyloxybenzonitrile

C8H7INO- — CID 163632501

IUPAC4-methyliodanuidyloxybenzonitrile
SMILESC[I-]Oc1ccc(C#N)cc1
InChIInChI=1S/C8H7INO/c1-9-11-8-4-2-7(6-10)3-5-8/h2-5H,1H3/q-1
InChIKeyYFELEXKJHOPLAD-UHFFFAOYSA-N
MW260.05 g/mol
LogP-1.43
Rot. Bonds2

About 4-methyliodanuidyloxybenzonitrile

4-methyliodanuidyloxybenzonitrile (PubChem CID 163632501) has the molecular formula C8H7INO- and a molecular weight of 260.05 g/mol. Its IUPAC name is 4-methyliodanuidyloxybenzonitrile.

Molecular Properties

Compound Name4-methyliodanuidyloxybenzonitrile
PubChem CID163632501
Molecular FormulaC8H7INO-
Molecular Weight260.05 g/mol
Exact Mass259.96
IUPAC Name4-methyliodanuidyloxybenzonitrile
SMILESC[I-]Oc1ccc(C#N)cc1
InChIInChI=1S/C8H7INO/c1-9-11-8-4-2-7(6-10)3-5-8/h2-5H,1H3/q-1
InChIKeyYFELEXKJHOPLAD-UHFFFAOYSA-N
XLogP-1.43
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.05
LogP ≤ 5-1.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy(13C)benzonitrile
CID 175991125
azane;benzene-1,4-dicarbonitrile
CID 174336566
4-bis(4-cyanophenoxy)phosphinothioyloxybenzonitrile
CID 101396181
4-(3-methoxycyclobutyl)oxybenzonitrile
CID 169088074
4-[2-(4-ethoxyphenoxy)ethoxy]benzonitrile
CID 43213507
4-(2-cyanopropan-2-yloxy)benzonitrile
CID 117052675
4-[4-(methylamino)phenoxy]benzonitrile
CID 15622757
4-(4-cyanophenoxy)carbothioyloxybenzonitrile
CID 14022579
tris(4-cyanophenyl) phosphate
CID 23192181
4-[(4-cyanophenoxy)methyl]benzonitrile
CID 7894350
4-(6-methylpyridazin-3-yl)oxybenzonitrile
CID 176899831
4-[4-[(4-methylphenoxy)methoxy]phenyl]benzonitrile
CID 129203224

Frequently Asked Questions

What is the IUPAC name of 4-methyliodanuidyloxybenzonitrile?
The IUPAC name of 4-methyliodanuidyloxybenzonitrile (CID 163632501) is 4-methyliodanuidyloxybenzonitrile.
What is the SMILES notation for 4-methyliodanuidyloxybenzonitrile?
The canonical SMILES for 4-methyliodanuidyloxybenzonitrile is C[I-]Oc1ccc(C#N)cc1.
What is the InChIKey of 4-methyliodanuidyloxybenzonitrile?
The InChIKey is YFELEXKJHOPLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7INO/c1-9-11-8-4-2-7(6-10)3-5-8/h2-5H,1H3/q-1.
What are the key properties of 4-methyliodanuidyloxybenzonitrile?
4-methyliodanuidyloxybenzonitrile has a molecular weight of 260.05 g/mol, XLogP of -1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyliodanuidyloxybenzonitrile is sourced from PubChem (CID 163632501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).