azete-2-carbaldehyde;iodobenzene

C10H8INO — CID 175694027

IUPACazete-2-carbaldehyde;iodobenzene
SMILESIc1ccccc1.O=CC1=NC=C1
InChIInChI=1S/C6H5I.C4H3NO/c7-6-4-2-1-3-5-6;6-3-4-1-2-5-4/h1-5H;1-3H
InChIKeyFYBPPEDNGIKZOJ-UHFFFAOYSA-N
MW285.08 g/mol
LogP2.44
Rot. Bonds1

About azete-2-carbaldehyde;iodobenzene

azete-2-carbaldehyde;iodobenzene (PubChem CID 175694027) has the molecular formula C10H8INO and a molecular weight of 285.08 g/mol. Its IUPAC name is azete-2-carbaldehyde;iodobenzene.

Molecular Properties

Compound Nameazete-2-carbaldehyde;iodobenzene
PubChem CID175694027
Molecular FormulaC10H8INO
Molecular Weight285.08 g/mol
Exact Mass284.97
IUPAC Nameazete-2-carbaldehyde;iodobenzene
SMILESIc1ccccc1.O=CC1=NC=C1
InChIInChI=1S/C6H5I.C4H3NO/c7-6-4-2-1-3-5-6;6-3-4-1-2-5-4/h1-5H;1-3H
InChIKeyFYBPPEDNGIKZOJ-UHFFFAOYSA-N
XLogP2.44
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.08
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

acetaldehyde;iodobenzene
CID 159105616
iodobenzene;methane
CID 161271441
iodobenzene dichloride
CID 13166207
iodobenzene;propanal
CID 174371792
hypoiodous acid;iodobenzene;hydrate
CID 172828538
iodobenzene;sulfuryl dichloride
CID 87648200
iodobenzene;sulfuric acid
CID 174810699
benzaldehyde;hydrate
CID 86741597
benzene;terephthalaldehyde
CID 163498156
4-(4-iodophenyl)sulfanylbenzaldehyde
CID 91880478
4-[4-(4-iodophenyl)phenyl]benzaldehyde
CID 58568967
hydron;iodobenzene;hexafluorophosphate
CID 174937039

Frequently Asked Questions

What is the IUPAC name of azete-2-carbaldehyde;iodobenzene?
The IUPAC name of azete-2-carbaldehyde;iodobenzene (CID 175694027) is azete-2-carbaldehyde;iodobenzene.
What is the SMILES notation for azete-2-carbaldehyde;iodobenzene?
The canonical SMILES for azete-2-carbaldehyde;iodobenzene is Ic1ccccc1.O=CC1=NC=C1.
What is the InChIKey of azete-2-carbaldehyde;iodobenzene?
The InChIKey is FYBPPEDNGIKZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5I.C4H3NO/c7-6-4-2-1-3-5-6;6-3-4-1-2-5-4/h1-5H;1-3H.
What are the key properties of azete-2-carbaldehyde;iodobenzene?
azete-2-carbaldehyde;iodobenzene has a molecular weight of 285.08 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azete-2-carbaldehyde;iodobenzene is sourced from PubChem (CID 175694027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).