ethoxy(pyridin-2-ylmethyl)phosphinic acid

C8H12NO3P — CID 86045425

IUPACethoxy(pyridin-2-ylmethyl)phosphinic acid
SMILESCCOP(=O)(O)Cc1ccccn1
InChIInChI=1S/C8H12NO3P/c1-2-12-13(10,11)7-8-5-3-4-6-9-8/h3-6H,2,7H2,1H3,(H,10,11)
InChIKeyWLPORRUSMHMWTF-UHFFFAOYSA-N
MW201.16 g/mol
LogP1.80
Rot. Bonds4

About ethoxy(pyridin-2-ylmethyl)phosphinic acid

ethoxy(pyridin-2-ylmethyl)phosphinic acid (PubChem CID 86045425) has the molecular formula C8H12NO3P and a molecular weight of 201.16 g/mol. Its IUPAC name is ethoxy(pyridin-2-ylmethyl)phosphinic acid.

Molecular Properties

Compound Nameethoxy(pyridin-2-ylmethyl)phosphinic acid
PubChem CID86045425
Molecular FormulaC8H12NO3P
Molecular Weight201.16 g/mol
Exact Mass201.06
IUPAC Nameethoxy(pyridin-2-ylmethyl)phosphinic acid
SMILESCCOP(=O)(O)Cc1ccccn1
InChIInChI=1S/C8H12NO3P/c1-2-12-13(10,11)7-8-5-3-4-6-9-8/h3-6H,2,7H2,1H3,(H,10,11)
InChIKeyWLPORRUSMHMWTF-UHFFFAOYSA-N
XLogP1.80
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.16
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(2-(diethoxyphosphorylmethyl)pyridine);platinum(2+);dichloride;hydrate
CID 139065832
2-(2-diethoxyphosphorylethyl)pyridine
CID 11128503
ethoxy-[[3-(hydroxyamino)-2-pyridinyl]methyl]phosphinic acid
CID 89325868
dimethyl pyridin-2-ylmethyl phosphate
CID 11622628
[diethoxyphosphoryloxy-[4-(pyridin-2-ylmethoxy)phenyl]methyl]phosphonic acid
CID 87871951
2-ethylpyridine;methanesulfonic acid
CID 86038816
ethane;2-ethylpyridine;propan-2-one
CID 91062133
2-ethylpyridine;sulfurous acid
CID 174743952
acetic acid;2-ethylpyridine
CID 70072313
2-ethylpyridine;sulfane
CID 67363352
ethane;2-ethylpyridine
CID 91102000
N-methyl-N-phenyl-(2-pyridin-2-ylethoxy)phosphonamidic acid
CID 130417323

Frequently Asked Questions

What is the IUPAC name of ethoxy(pyridin-2-ylmethyl)phosphinic acid?
The IUPAC name of ethoxy(pyridin-2-ylmethyl)phosphinic acid (CID 86045425) is ethoxy(pyridin-2-ylmethyl)phosphinic acid.
What is the SMILES notation for ethoxy(pyridin-2-ylmethyl)phosphinic acid?
The canonical SMILES for ethoxy(pyridin-2-ylmethyl)phosphinic acid is CCOP(=O)(O)Cc1ccccn1.
What is the InChIKey of ethoxy(pyridin-2-ylmethyl)phosphinic acid?
The InChIKey is WLPORRUSMHMWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12NO3P/c1-2-12-13(10,11)7-8-5-3-4-6-9-8/h3-6H,2,7H2,1H3,(H,10,11).
What are the key properties of ethoxy(pyridin-2-ylmethyl)phosphinic acid?
ethoxy(pyridin-2-ylmethyl)phosphinic acid has a molecular weight of 201.16 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy(pyridin-2-ylmethyl)phosphinic acid is sourced from PubChem (CID 86045425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).