[hydroxy(phosphonooxy)phosphoryl]oxy-(3-methyl-2-pyridinyl)phosphinic acid

C6H10NO9P3 — CID 174882327

IUPAC[hydroxy(phosphonooxy)phosphoryl]oxy-(3-methyl-2-pyridinyl)phosphinic acid
SMILESCc1cccnc1P(=O)(O)OP(=O)(O)OP(=O)(O)O
InChIInChI=1S/C6H10NO9P3/c1-5-3-2-4-7-6(5)17(8,9)15-19(13,14)16-18(10,11)12/h2-4H,1H3,(H,8,9)(H,13,14)(H2,10,11,12)
InChIKeyBPBCTOJAIZWRCS-UHFFFAOYSA-N
MW333.07 g/mol
LogP0.43
Rot. Bonds5

About [hydroxy(phosphonooxy)phosphoryl]oxy-(3-methyl-2-pyridinyl)phosphinic acid

[hydroxy(phosphonooxy)phosphoryl]oxy-(3-methyl-2-pyridinyl)phosphinic acid (PubChem CID 174882327) has the molecular formula C6H10NO9P3 and a molecular weight of 333.07 g/mol. Its IUPAC name is [hydroxy(phosphonooxy)phosphoryl]oxy-(3-methyl-2-pyridinyl)phosphinic acid.

Molecular Properties

Compound Name[hydroxy(phosphonooxy)phosphoryl]oxy-(3-methyl-2-pyridinyl)phosphinic acid
PubChem CID174882327
Molecular FormulaC6H10NO9P3
Molecular Weight333.07 g/mol
Exact Mass332.96
IUPAC Name[hydroxy(phosphonooxy)phosphoryl]oxy-(3-methyl-2-pyridinyl)phosphinic acid
SMILESCc1cccnc1P(=O)(O)OP(=O)(O)OP(=O)(O)O
InChIInChI=1S/C6H10NO9P3/c1-5-3-2-4-7-6(5)17(8,9)15-19(13,14)16-18(10,11)12/h2-4H,1H3,(H,8,9)(H,13,14)(H2,10,11,12)
InChIKeyBPBCTOJAIZWRCS-UHFFFAOYSA-N
XLogP0.43
TPSA163.48 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.07
LogP ≤ 50.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

phosphono pyrimidin-2-ylmethyl hydrogen phosphate
CID 54370937
[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl] phosphono hydrogen phosphate
CID 10212960
2-(2,3-dimethylphenyl)propan-2-yl phosphono hydrogen phosphate
CID 154379254
2-methylpyrimidine;phosphoric acid
CID 159617160
bis(benzene-1,3-diol);[hydroxy(phosphonooxy)phosphoryl] phosphono hydrogen phosphate
CID 174668054
phosphono dihydrogen phosphate;pyrimidin-2-ylmethanol
CID 87110897
phosphono [2,3,5,6-tetrakis(2,6-dimethylphenyl)-4-(4-hydroxyphenyl)phenyl] hydrogen phosphate
CID 22347898
N-(2,3-dimethylphenyl)-2-quinolin-8-yloxyacetamide
CID 94221258
2-N,6-N-bis(3-methyl-2-pyridinyl)pyridine-2,6-dicarboxamide
CID 4216500
2-bromo-1-(3-methyl-2-pyridinyl)propan-1-one
CID 71428247
anilino [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate
CID 174627970
distrontium;diphosphono hydrogen phosphate;hydride
CID 174664429

Frequently Asked Questions

What is the IUPAC name of [hydroxy(phosphonooxy)phosphoryl]oxy-(3-methyl-2-pyridinyl)phosphinic acid?
The IUPAC name of [hydroxy(phosphonooxy)phosphoryl]oxy-(3-methyl-2-pyridinyl)phosphinic acid (CID 174882327) is [hydroxy(phosphonooxy)phosphoryl]oxy-(3-methyl-2-pyridinyl)phosphinic acid.
What is the SMILES notation for [hydroxy(phosphonooxy)phosphoryl]oxy-(3-methyl-2-pyridinyl)phosphinic acid?
The canonical SMILES for [hydroxy(phosphonooxy)phosphoryl]oxy-(3-methyl-2-pyridinyl)phosphinic acid is Cc1cccnc1P(=O)(O)OP(=O)(O)OP(=O)(O)O.
What is the InChIKey of [hydroxy(phosphonooxy)phosphoryl]oxy-(3-methyl-2-pyridinyl)phosphinic acid?
The InChIKey is BPBCTOJAIZWRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10NO9P3/c1-5-3-2-4-7-6(5)17(8,9)15-19(13,14)16-18(10,11)12/h2-4H,1H3,(H,8,9)(H,13,14)(H2,10,11,12).
What are the key properties of [hydroxy(phosphonooxy)phosphoryl]oxy-(3-methyl-2-pyridinyl)phosphinic acid?
[hydroxy(phosphonooxy)phosphoryl]oxy-(3-methyl-2-pyridinyl)phosphinic acid has a molecular weight of 333.07 g/mol, XLogP of 0.43, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy(phosphonooxy)phosphoryl]oxy-(3-methyl-2-pyridinyl)phosphinic acid is sourced from PubChem (CID 174882327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).