[hydroxy-(4-pyridin-2-ylphenyl)methyl]phosphonic acid

C12H12NO4P — CID 10468039

IUPAC[hydroxy-(4-pyridin-2-ylphenyl)methyl]phosphonic acid
SMILESO=P(O)(O)C(O)c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C12H12NO4P/c14-12(18(15,16)17)10-6-4-9(5-7-10)11-3-1-2-8-13-11/h1-8,12,14H,(H2,15,16,17)
InChIKeyLXGYRHMKGHXOIW-UHFFFAOYSA-N
MW265.20 g/mol
LogP1.92
Rot. Bonds3

About [hydroxy-(4-pyridin-2-ylphenyl)methyl]phosphonic acid

[hydroxy-(4-pyridin-2-ylphenyl)methyl]phosphonic acid (PubChem CID 10468039) has the molecular formula C12H12NO4P and a molecular weight of 265.20 g/mol. Its IUPAC name is [hydroxy-(4-pyridin-2-ylphenyl)methyl]phosphonic acid.

Molecular Properties

Compound Name[hydroxy-(4-pyridin-2-ylphenyl)methyl]phosphonic acid
PubChem CID10468039
Molecular FormulaC12H12NO4P
Molecular Weight265.20 g/mol
Exact Mass265.05
IUPAC Name[hydroxy-(4-pyridin-2-ylphenyl)methyl]phosphonic acid
SMILESO=P(O)(O)C(O)c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C12H12NO4P/c14-12(18(15,16)17)10-6-4-9(5-7-10)11-3-1-2-8-13-11/h1-8,12,14H,(H2,15,16,17)
InChIKeyLXGYRHMKGHXOIW-UHFFFAOYSA-N
XLogP1.92
TPSA90.65 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.20
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [hydroxy-(4-pyridin-2-ylphenyl)methyl]phosphonic acid with MolForge

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

Launch Full Analysis

Related Compounds

[hydroxy-(4-methylphenyl)methyl]phosphonic acid
CID 21265713
2-(methylamino)-1-(4-pyridin-2-ylphenyl)ethanol
CID 70986853
bis(iridium);tetrakis(4-pyridin-2-ylphenol)
CID 173084104
ethyl 2,3-dihydroxy-3-(4-pyridin-2-ylphenyl)propanoate
CID 171866921
pentan-3-ylphosphonic acid;2-pyridin-2-ylpyridine
CID 69498944
(1S)-2,2,2-trifluoro-1-(4-pyridin-2-ylphenyl)ethanamine
CID 66510300
2-phenylpyridine;propan-2-one
CID 174845023
N-propan-2-yl-4-pyridin-2-ylbenzamide
CID 59672619
2-(4-pyridin-2-ylphenyl)propanenitrile
CID 139809245
N-methyl-4-pyridin-2-ylbenzamide
CID 110464841
CID 88530161
CID 88530161
2-(4-methylphenyl)pyridine;silver
CID 121395993

Frequently Asked Questions

What is the IUPAC name of [hydroxy-(4-pyridin-2-ylphenyl)methyl]phosphonic acid?
The IUPAC name of [hydroxy-(4-pyridin-2-ylphenyl)methyl]phosphonic acid (CID 10468039) is [hydroxy-(4-pyridin-2-ylphenyl)methyl]phosphonic acid.
What is the SMILES notation for [hydroxy-(4-pyridin-2-ylphenyl)methyl]phosphonic acid?
The canonical SMILES for [hydroxy-(4-pyridin-2-ylphenyl)methyl]phosphonic acid is O=P(O)(O)C(O)c1ccc(-c2ccccn2)cc1.
What is the InChIKey of [hydroxy-(4-pyridin-2-ylphenyl)methyl]phosphonic acid?
The InChIKey is LXGYRHMKGHXOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12NO4P/c14-12(18(15,16)17)10-6-4-9(5-7-10)11-3-1-2-8-13-11/h1-8,12,14H,(H2,15,16,17).
What are the key properties of [hydroxy-(4-pyridin-2-ylphenyl)methyl]phosphonic acid?
[hydroxy-(4-pyridin-2-ylphenyl)methyl]phosphonic acid has a molecular weight of 265.20 g/mol, XLogP of 1.92, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy-(4-pyridin-2-ylphenyl)methyl]phosphonic acid is sourced from PubChem (CID 10468039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).