[6-[[hydroxy(methoxy)phosphoryl]methyl]-2-pyridinyl]methyl-methoxyphosphinic acid

C9H15NO6P2 — CID 58708679

IUPAC[6-[[hydroxy(methoxy)phosphoryl]methyl]-2-pyridinyl]methyl-methoxyphosphinic acid
SMILESCOP(=O)(O)Cc1cccc(CP(=O)(O)OC)n1
InChIInChI=1S/C9H15NO6P2/c1-15-17(11,12)6-8-4-3-5-9(10-8)7-18(13,14)16-2/h3-5H,6-7H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyGTYUDMRGTVSERK-UHFFFAOYSA-N
MW295.17 g/mol
LogP1.75
Rot. Bonds6

About [6-[[hydroxy(methoxy)phosphoryl]methyl]-2-pyridinyl]methyl-methoxyphosphinic acid

[6-[[hydroxy(methoxy)phosphoryl]methyl]-2-pyridinyl]methyl-methoxyphosphinic acid (PubChem CID 58708679) has the molecular formula C9H15NO6P2 and a molecular weight of 295.17 g/mol. Its IUPAC name is [6-[[hydroxy(methoxy)phosphoryl]methyl]-2-pyridinyl]methyl-methoxyphosphinic acid.

Molecular Properties

Compound Name[6-[[hydroxy(methoxy)phosphoryl]methyl]-2-pyridinyl]methyl-methoxyphosphinic acid
PubChem CID58708679
Molecular FormulaC9H15NO6P2
Molecular Weight295.17 g/mol
Exact Mass295.04
IUPAC Name[6-[[hydroxy(methoxy)phosphoryl]methyl]-2-pyridinyl]methyl-methoxyphosphinic acid
SMILESCOP(=O)(O)Cc1cccc(CP(=O)(O)OC)n1
InChIInChI=1S/C9H15NO6P2/c1-15-17(11,12)6-8-4-3-5-9(10-8)7-18(13,14)16-2/h3-5H,6-7H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyGTYUDMRGTVSERK-UHFFFAOYSA-N
XLogP1.75
TPSA105.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethoxy(pyridin-2-ylmethyl)phosphinic acid
CID 86045425
[6-(sulfomethyl)-2-pyridinyl]methanesulfonic acid
CID 118861855
methyl 6-(iodomethyl)pyridine-2-carboxylate
CID 66524325
methoxy(methoxymethyl)phosphinic acid
CID 54547216
[6-[(dimethylamino)methyl]-2-pyridinyl]phosphonic acid
CID 166148102
methyl 6-(methoxymethyl)pyridine-2-carboxylate
CID 58850086
dimethyl pyridin-2-ylmethyl phosphate
CID 11622628
methyl 6-ethylpyridine-2-carboxylate;propane
CID 142320367
methyl 6-(2-hydroxyethyl)pyridine-2-carboxylate
CID 55267203
methyl 3-[6-(azidomethyl)-2-pyridinyl]propanoate
CID 135277822
[6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl N-methylcarbamate
CID 4990
ethane;methyl-[6-(methylaminomethyl)-2-pyridinyl]phosphinic acid
CID 166148087

Frequently Asked Questions

What is the IUPAC name of [6-[[hydroxy(methoxy)phosphoryl]methyl]-2-pyridinyl]methyl-methoxyphosphinic acid?
The IUPAC name of [6-[[hydroxy(methoxy)phosphoryl]methyl]-2-pyridinyl]methyl-methoxyphosphinic acid (CID 58708679) is [6-[[hydroxy(methoxy)phosphoryl]methyl]-2-pyridinyl]methyl-methoxyphosphinic acid.
What is the SMILES notation for [6-[[hydroxy(methoxy)phosphoryl]methyl]-2-pyridinyl]methyl-methoxyphosphinic acid?
The canonical SMILES for [6-[[hydroxy(methoxy)phosphoryl]methyl]-2-pyridinyl]methyl-methoxyphosphinic acid is COP(=O)(O)Cc1cccc(CP(=O)(O)OC)n1.
What is the InChIKey of [6-[[hydroxy(methoxy)phosphoryl]methyl]-2-pyridinyl]methyl-methoxyphosphinic acid?
The InChIKey is GTYUDMRGTVSERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO6P2/c1-15-17(11,12)6-8-4-3-5-9(10-8)7-18(13,14)16-2/h3-5H,6-7H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of [6-[[hydroxy(methoxy)phosphoryl]methyl]-2-pyridinyl]methyl-methoxyphosphinic acid?
[6-[[hydroxy(methoxy)phosphoryl]methyl]-2-pyridinyl]methyl-methoxyphosphinic acid has a molecular weight of 295.17 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[hydroxy(methoxy)phosphoryl]methyl]-2-pyridinyl]methyl-methoxyphosphinic acid is sourced from PubChem (CID 58708679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).