[1-(2-iodophosphanyloxyethyl)-3-nitropyrazol-5-yl]methanol

C6H9IN3O4P — CID 156525511

IUPAC[1-(2-iodophosphanyloxyethyl)-3-nitropyrazol-5-yl]methanol
SMILESO=[N+]([O-])c1cc(CO)n(CCOPI)n1
InChIInChI=1S/C6H9IN3O4P/c7-15-14-2-1-9-5(4-11)3-6(8-9)10(12)13/h3,11,15H,1-2,4H2
InChIKeyHUCWUMSNWJQAKH-UHFFFAOYSA-N
MW345.03 g/mol
LogP1.24
Rot. Bonds6

About [1-(2-iodophosphanyloxyethyl)-3-nitropyrazol-5-yl]methanol

[1-(2-iodophosphanyloxyethyl)-3-nitropyrazol-5-yl]methanol (PubChem CID 156525511) has the molecular formula C6H9IN3O4P and a molecular weight of 345.03 g/mol. Its IUPAC name is [1-(2-iodophosphanyloxyethyl)-3-nitropyrazol-5-yl]methanol.

Molecular Properties

Compound Name[1-(2-iodophosphanyloxyethyl)-3-nitropyrazol-5-yl]methanol
PubChem CID156525511
Molecular FormulaC6H9IN3O4P
Molecular Weight345.03 g/mol
Exact Mass344.94
IUPAC Name[1-(2-iodophosphanyloxyethyl)-3-nitropyrazol-5-yl]methanol
SMILESO=[N+]([O-])c1cc(CO)n(CCOPI)n1
InChIInChI=1S/C6H9IN3O4P/c7-15-14-2-1-9-5(4-11)3-6(8-9)10(12)13/h3,11,15H,1-2,4H2
InChIKeyHUCWUMSNWJQAKH-UHFFFAOYSA-N
XLogP1.24
TPSA90.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.03
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(2-iodophosphanyloxyethyl)-3-nitropyrazol-5-yl]methanol?
The IUPAC name of [1-(2-iodophosphanyloxyethyl)-3-nitropyrazol-5-yl]methanol (CID 156525511) is [1-(2-iodophosphanyloxyethyl)-3-nitropyrazol-5-yl]methanol.
What is the SMILES notation for [1-(2-iodophosphanyloxyethyl)-3-nitropyrazol-5-yl]methanol?
The canonical SMILES for [1-(2-iodophosphanyloxyethyl)-3-nitropyrazol-5-yl]methanol is O=[N+]([O-])c1cc(CO)n(CCOPI)n1.
What is the InChIKey of [1-(2-iodophosphanyloxyethyl)-3-nitropyrazol-5-yl]methanol?
The InChIKey is HUCWUMSNWJQAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9IN3O4P/c7-15-14-2-1-9-5(4-11)3-6(8-9)10(12)13/h3,11,15H,1-2,4H2.
What are the key properties of [1-(2-iodophosphanyloxyethyl)-3-nitropyrazol-5-yl]methanol?
[1-(2-iodophosphanyloxyethyl)-3-nitropyrazol-5-yl]methanol has a molecular weight of 345.03 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-iodophosphanyloxyethyl)-3-nitropyrazol-5-yl]methanol is sourced from PubChem (CID 156525511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).