[(3-fluoro-2-pyridinyl)-methoxymethyl]phosphonic acid

C7H9FNO4P — CID 174048857

IUPAC[(3-fluoro-2-pyridinyl)-methoxymethyl]phosphonic acid
SMILESCOC(c1ncccc1F)P(=O)(O)O
InChIInChI=1S/C7H9FNO4P/c1-13-7(14(10,11)12)6-5(8)3-2-4-9-6/h2-4,7H,1H3,(H2,10,11,12)
InChIKeyIDOIJGWDYSXWET-UHFFFAOYSA-N
MW221.12 g/mol
LogP1.04
Rot. Bonds3

About [(3-fluoro-2-pyridinyl)-methoxymethyl]phosphonic acid

[(3-fluoro-2-pyridinyl)-methoxymethyl]phosphonic acid (PubChem CID 174048857) has the molecular formula C7H9FNO4P and a molecular weight of 221.12 g/mol. Its IUPAC name is [(3-fluoro-2-pyridinyl)-methoxymethyl]phosphonic acid.

Molecular Properties

Compound Name[(3-fluoro-2-pyridinyl)-methoxymethyl]phosphonic acid
PubChem CID174048857
Molecular FormulaC7H9FNO4P
Molecular Weight221.12 g/mol
Exact Mass221.03
IUPAC Name[(3-fluoro-2-pyridinyl)-methoxymethyl]phosphonic acid
SMILESCOC(c1ncccc1F)P(=O)(O)O
InChIInChI=1S/C7H9FNO4P/c1-13-7(14(10,11)12)6-5(8)3-2-4-9-6/h2-4,7H,1H3,(H2,10,11,12)
InChIKeyIDOIJGWDYSXWET-UHFFFAOYSA-N
XLogP1.04
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.12
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3-fluoro-2-pyridinyl)-methoxymethyl]phosphonic acid?
The IUPAC name of [(3-fluoro-2-pyridinyl)-methoxymethyl]phosphonic acid (CID 174048857) is [(3-fluoro-2-pyridinyl)-methoxymethyl]phosphonic acid.
What is the SMILES notation for [(3-fluoro-2-pyridinyl)-methoxymethyl]phosphonic acid?
The canonical SMILES for [(3-fluoro-2-pyridinyl)-methoxymethyl]phosphonic acid is COC(c1ncccc1F)P(=O)(O)O.
What is the InChIKey of [(3-fluoro-2-pyridinyl)-methoxymethyl]phosphonic acid?
The InChIKey is IDOIJGWDYSXWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FNO4P/c1-13-7(14(10,11)12)6-5(8)3-2-4-9-6/h2-4,7H,1H3,(H2,10,11,12).
What are the key properties of [(3-fluoro-2-pyridinyl)-methoxymethyl]phosphonic acid?
[(3-fluoro-2-pyridinyl)-methoxymethyl]phosphonic acid has a molecular weight of 221.12 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-fluoro-2-pyridinyl)-methoxymethyl]phosphonic acid is sourced from PubChem (CID 174048857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).