(5-hydroxy-2-pyridinyl)methylphosphonic acid

C6H8NO4P — CID 53363177

IUPAC(5-hydroxy-2-pyridinyl)methylphosphonic acid
SMILESO=P(O)(O)Cc1ccc(O)cn1
InChIInChI=1S/C6H8NO4P/c8-6-2-1-5(7-3-6)4-12(9,10)11/h1-3,8H,4H2,(H2,9,10,11)
InChIKeyKVJQIWKOIARIBN-UHFFFAOYSA-N
MW189.11 g/mol
LogP0.46
Rot. Bonds2

About (5-hydroxy-2-pyridinyl)methylphosphonic acid

(5-hydroxy-2-pyridinyl)methylphosphonic acid (PubChem CID 53363177) has the molecular formula C6H8NO4P and a molecular weight of 189.11 g/mol. Its IUPAC name is (5-hydroxy-2-pyridinyl)methylphosphonic acid.

Molecular Properties

Compound Name(5-hydroxy-2-pyridinyl)methylphosphonic acid
PubChem CID53363177
Molecular FormulaC6H8NO4P
Molecular Weight189.11 g/mol
Exact Mass189.02
IUPAC Name(5-hydroxy-2-pyridinyl)methylphosphonic acid
SMILESO=P(O)(O)Cc1ccc(O)cn1
InChIInChI=1S/C6H8NO4P/c8-6-2-1-5(7-3-6)4-12(9,10)11/h1-3,8H,4H2,(H2,9,10,11)
InChIKeyKVJQIWKOIARIBN-UHFFFAOYSA-N
XLogP0.46
TPSA90.65 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.11
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5-hydroxy-2-pyridinyl)methylphosphonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-2-pyridinyl)methylphosphonic acid?
The IUPAC name of (5-hydroxy-2-pyridinyl)methylphosphonic acid (CID 53363177) is (5-hydroxy-2-pyridinyl)methylphosphonic acid.
What is the SMILES notation for (5-hydroxy-2-pyridinyl)methylphosphonic acid?
The canonical SMILES for (5-hydroxy-2-pyridinyl)methylphosphonic acid is O=P(O)(O)Cc1ccc(O)cn1.
What is the InChIKey of (5-hydroxy-2-pyridinyl)methylphosphonic acid?
The InChIKey is KVJQIWKOIARIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8NO4P/c8-6-2-1-5(7-3-6)4-12(9,10)11/h1-3,8H,4H2,(H2,9,10,11).
What are the key properties of (5-hydroxy-2-pyridinyl)methylphosphonic acid?
(5-hydroxy-2-pyridinyl)methylphosphonic acid has a molecular weight of 189.11 g/mol, XLogP of 0.46, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-2-pyridinyl)methylphosphonic acid is sourced from PubChem (CID 53363177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).