ethoxy-[[3-(hydroxyamino)-2-pyridinyl]methyl]phosphinic acid

C8H13N2O4P — CID 89325868

IUPACethoxy-[[3-(hydroxyamino)-2-pyridinyl]methyl]phosphinic acid
SMILESCCOP(=O)(O)Cc1ncccc1NO
InChIInChI=1S/C8H13N2O4P/c1-2-14-15(12,13)6-8-7(10-11)4-3-5-9-8/h3-5,10-11H,2,6H2,1H3,(H,12,13)
InChIKeyKPTCRSNKHQNEIE-UHFFFAOYSA-N
MW232.18 g/mol
LogP1.60
Rot. Bonds5

About ethoxy-[[3-(hydroxyamino)-2-pyridinyl]methyl]phosphinic acid

ethoxy-[[3-(hydroxyamino)-2-pyridinyl]methyl]phosphinic acid (PubChem CID 89325868) has the molecular formula C8H13N2O4P and a molecular weight of 232.18 g/mol. Its IUPAC name is ethoxy-[[3-(hydroxyamino)-2-pyridinyl]methyl]phosphinic acid.

Molecular Properties

Compound Nameethoxy-[[3-(hydroxyamino)-2-pyridinyl]methyl]phosphinic acid
PubChem CID89325868
Molecular FormulaC8H13N2O4P
Molecular Weight232.18 g/mol
Exact Mass232.06
IUPAC Nameethoxy-[[3-(hydroxyamino)-2-pyridinyl]methyl]phosphinic acid
SMILESCCOP(=O)(O)Cc1ncccc1NO
InChIInChI=1S/C8H13N2O4P/c1-2-14-15(12,13)6-8-7(10-11)4-3-5-9-8/h3-5,10-11H,2,6H2,1H3,(H,12,13)
InChIKeyKPTCRSNKHQNEIE-UHFFFAOYSA-N
XLogP1.60
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.18
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 ethoxy-[[3-(hydroxyamino)-2-pyridinyl]methyl]phosphinic acid?
The IUPAC name of ethoxy-[[3-(hydroxyamino)-2-pyridinyl]methyl]phosphinic acid (CID 89325868) is ethoxy-[[3-(hydroxyamino)-2-pyridinyl]methyl]phosphinic acid.
What is the SMILES notation for ethoxy-[[3-(hydroxyamino)-2-pyridinyl]methyl]phosphinic acid?
The canonical SMILES for ethoxy-[[3-(hydroxyamino)-2-pyridinyl]methyl]phosphinic acid is CCOP(=O)(O)Cc1ncccc1NO.
What is the InChIKey of ethoxy-[[3-(hydroxyamino)-2-pyridinyl]methyl]phosphinic acid?
The InChIKey is KPTCRSNKHQNEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N2O4P/c1-2-14-15(12,13)6-8-7(10-11)4-3-5-9-8/h3-5,10-11H,2,6H2,1H3,(H,12,13).
What are the key properties of ethoxy-[[3-(hydroxyamino)-2-pyridinyl]methyl]phosphinic acid?
ethoxy-[[3-(hydroxyamino)-2-pyridinyl]methyl]phosphinic acid has a molecular weight of 232.18 g/mol, XLogP of 1.60, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-[[3-(hydroxyamino)-2-pyridinyl]methyl]phosphinic acid is sourced from PubChem (CID 89325868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).