5-(1-iodophosphanylpyrazol-4-yl)-2-methylbenzene-1,3-diol

C10H10IN2O2P — CID 153348657

IUPAC5-(1-iodophosphanylpyrazol-4-yl)-2-methylbenzene-1,3-diol
SMILESCc1c(O)cc(-c2cnn(PI)c2)cc1O
InChIInChI=1S/C10H10IN2O2P/c1-6-9(14)2-7(3-10(6)15)8-4-12-13(5-8)16-11/h2-5,14-16H,1H3
InChIKeySGIZMIWBBNXBLP-UHFFFAOYSA-N
MW348.08 g/mol
LogP3.06
Rot. Bonds2

About 5-(1-iodophosphanylpyrazol-4-yl)-2-methylbenzene-1,3-diol

5-(1-iodophosphanylpyrazol-4-yl)-2-methylbenzene-1,3-diol (PubChem CID 153348657) has the molecular formula C10H10IN2O2P and a molecular weight of 348.08 g/mol. Its IUPAC name is 5-(1-iodophosphanylpyrazol-4-yl)-2-methylbenzene-1,3-diol.

Molecular Properties

Compound Name5-(1-iodophosphanylpyrazol-4-yl)-2-methylbenzene-1,3-diol
PubChem CID153348657
Molecular FormulaC10H10IN2O2P
Molecular Weight348.08 g/mol
Exact Mass347.95
IUPAC Name5-(1-iodophosphanylpyrazol-4-yl)-2-methylbenzene-1,3-diol
SMILESCc1c(O)cc(-c2cnn(PI)c2)cc1O
InChIInChI=1S/C10H10IN2O2P/c1-6-9(14)2-7(3-10(6)15)8-4-12-13(5-8)16-11/h2-5,14-16H,1H3
InChIKeySGIZMIWBBNXBLP-UHFFFAOYSA-N
XLogP3.06
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.08
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1-iodophosphanylpyrazol-4-yl)-2-methylbenzene-1,3-diol?
The IUPAC name of 5-(1-iodophosphanylpyrazol-4-yl)-2-methylbenzene-1,3-diol (CID 153348657) is 5-(1-iodophosphanylpyrazol-4-yl)-2-methylbenzene-1,3-diol.
What is the SMILES notation for 5-(1-iodophosphanylpyrazol-4-yl)-2-methylbenzene-1,3-diol?
The canonical SMILES for 5-(1-iodophosphanylpyrazol-4-yl)-2-methylbenzene-1,3-diol is Cc1c(O)cc(-c2cnn(PI)c2)cc1O.
What is the InChIKey of 5-(1-iodophosphanylpyrazol-4-yl)-2-methylbenzene-1,3-diol?
The InChIKey is SGIZMIWBBNXBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10IN2O2P/c1-6-9(14)2-7(3-10(6)15)8-4-12-13(5-8)16-11/h2-5,14-16H,1H3.
What are the key properties of 5-(1-iodophosphanylpyrazol-4-yl)-2-methylbenzene-1,3-diol?
5-(1-iodophosphanylpyrazol-4-yl)-2-methylbenzene-1,3-diol has a molecular weight of 348.08 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-iodophosphanylpyrazol-4-yl)-2-methylbenzene-1,3-diol is sourced from PubChem (CID 153348657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).