2-methanidylphenol;palladium

C7H7OPd- — CID 174392295

IUPAC2-methanidylphenol;palladium
SMILES[CH2-]c1ccccc1O.[Pd]
InChIInChI=1S/C7H7O.Pd/c1-6-4-2-3-5-7(6)8;/h2-5,8H,1H2;/q-1;
InChIKeyHHDRMKNMRXOPQP-UHFFFAOYSA-N
MW213.55 g/mol
LogP1.57
Rot. Bonds

About 2-methanidylphenol;palladium

2-methanidylphenol;palladium (PubChem CID 174392295) has the molecular formula C7H7OPd- and a molecular weight of 213.55 g/mol. Its IUPAC name is 2-methanidylphenol;palladium.

Molecular Properties

Compound Name2-methanidylphenol;palladium
PubChem CID174392295
Molecular FormulaC7H7OPd-
Molecular Weight213.55 g/mol
Exact Mass212.95
IUPAC Name2-methanidylphenol;palladium
SMILES[CH2-]c1ccccc1O.[Pd]
InChIInChI=1S/C7H7O.Pd/c1-6-4-2-3-5-7(6)8;/h2-5,8H,1H2;/q-1;
InChIKeyHHDRMKNMRXOPQP-UHFFFAOYSA-N
XLogP1.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.55
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methanidylphenol;palladium?
The IUPAC name of 2-methanidylphenol;palladium (CID 174392295) is 2-methanidylphenol;palladium.
What is the SMILES notation for 2-methanidylphenol;palladium?
The canonical SMILES for 2-methanidylphenol;palladium is [CH2-]c1ccccc1O.[Pd].
What is the InChIKey of 2-methanidylphenol;palladium?
The InChIKey is HHDRMKNMRXOPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7O.Pd/c1-6-4-2-3-5-7(6)8;/h2-5,8H,1H2;/q-1;.
What are the key properties of 2-methanidylphenol;palladium?
2-methanidylphenol;palladium has a molecular weight of 213.55 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanidylphenol;palladium is sourced from PubChem (CID 174392295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).