3-iodo-2-methanehydrazonoylphenol

C7H7IN2O — CID 168531460

IUPAC3-iodo-2-methanehydrazonoylphenol
SMILESNN=Cc1c(O)cccc1I
InChIInChI=1S/C7H7IN2O/c8-6-2-1-3-7(11)5(6)4-10-9/h1-4,11H,9H2
InChIKeyRAHHUJSUNLFCSM-UHFFFAOYSA-N
MW262.05 g/mol
LogP1.29
Rot. Bonds1

About 3-iodo-2-methanehydrazonoylphenol

3-iodo-2-methanehydrazonoylphenol (PubChem CID 168531460) has the molecular formula C7H7IN2O and a molecular weight of 262.05 g/mol. Its IUPAC name is 3-iodo-2-methanehydrazonoylphenol.

Molecular Properties

Compound Name3-iodo-2-methanehydrazonoylphenol
PubChem CID168531460
Molecular FormulaC7H7IN2O
Molecular Weight262.05 g/mol
Exact Mass261.96
IUPAC Name3-iodo-2-methanehydrazonoylphenol
SMILESNN=Cc1c(O)cccc1I
InChIInChI=1S/C7H7IN2O/c8-6-2-1-3-7(11)5(6)4-10-9/h1-4,11H,9H2
InChIKeyRAHHUJSUNLFCSM-UHFFFAOYSA-N
XLogP1.29
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.05
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

copper;2-[(E)-hydrazinylidenemethyl]phenol;hydrate
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2-iodophenol
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2,4-difluoro-3-methanehydrazonoylphenol
CID 168531641
2-(hydroxyiminomethyl)-6-iodophenol
CID 136960294
3-methanehydrazonoylnaphthalen-2-ol
CID 915671
[(2-iodo-6-methylphenyl)methylideneamino]thiourea
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3-(3-methanehydrazonoylphenyl)phenol
CID 168529657
sodium;2-(2,6-dichlorophenyl)-3-iodophenol;hydride
CID 173433911
(2,6-dinitrophenyl)methylidenehydrazine
CID 168530907
ethane;[3-[(E)-hydrazinylidenemethyl]phenyl]mercury
CID 143139719
3-iodo-2-methanimidoylaniline
CID 147995375

Frequently Asked Questions

What is the IUPAC name of 3-iodo-2-methanehydrazonoylphenol?
The IUPAC name of 3-iodo-2-methanehydrazonoylphenol (CID 168531460) is 3-iodo-2-methanehydrazonoylphenol.
What is the SMILES notation for 3-iodo-2-methanehydrazonoylphenol?
The canonical SMILES for 3-iodo-2-methanehydrazonoylphenol is NN=Cc1c(O)cccc1I.
What is the InChIKey of 3-iodo-2-methanehydrazonoylphenol?
The InChIKey is RAHHUJSUNLFCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7IN2O/c8-6-2-1-3-7(11)5(6)4-10-9/h1-4,11H,9H2.
What are the key properties of 3-iodo-2-methanehydrazonoylphenol?
3-iodo-2-methanehydrazonoylphenol has a molecular weight of 262.05 g/mol, XLogP of 1.29, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-2-methanehydrazonoylphenol is sourced from PubChem (CID 168531460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).