1-pyridin-2-ylprop-1-en-2-ylphosphonic acid

C8H10NO3P — CID 177312933

IUPAC1-pyridin-2-ylprop-1-en-2-ylphosphonic acid
SMILESCC(=Cc1ccccn1)P(=O)(O)O
InChIInChI=1S/C8H10NO3P/c1-7(13(10,11)12)6-8-4-2-3-5-9-8/h2-6H,1H3,(H2,10,11,12)
InChIKeyZZZFQQZOGGXNSE-UHFFFAOYSA-N
MW199.15 g/mol
LogP1.62
Rot. Bonds2

About 1-pyridin-2-ylprop-1-en-2-ylphosphonic acid

1-pyridin-2-ylprop-1-en-2-ylphosphonic acid (PubChem CID 177312933) has the molecular formula C8H10NO3P and a molecular weight of 199.15 g/mol. Its IUPAC name is 1-pyridin-2-ylprop-1-en-2-ylphosphonic acid.

Molecular Properties

Compound Name1-pyridin-2-ylprop-1-en-2-ylphosphonic acid
PubChem CID177312933
Molecular FormulaC8H10NO3P
Molecular Weight199.15 g/mol
Exact Mass199.04
IUPAC Name1-pyridin-2-ylprop-1-en-2-ylphosphonic acid
SMILESCC(=Cc1ccccn1)P(=O)(O)O
InChIInChI=1S/C8H10NO3P/c1-7(13(10,11)12)6-8-4-2-3-5-9-8/h2-6H,1H3,(H2,10,11,12)
InChIKeyZZZFQQZOGGXNSE-UHFFFAOYSA-N
XLogP1.62
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.15
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-ylprop-1-en-2-ylphosphonic acid?
The IUPAC name of 1-pyridin-2-ylprop-1-en-2-ylphosphonic acid (CID 177312933) is 1-pyridin-2-ylprop-1-en-2-ylphosphonic acid.
What is the SMILES notation for 1-pyridin-2-ylprop-1-en-2-ylphosphonic acid?
The canonical SMILES for 1-pyridin-2-ylprop-1-en-2-ylphosphonic acid is CC(=Cc1ccccn1)P(=O)(O)O.
What is the InChIKey of 1-pyridin-2-ylprop-1-en-2-ylphosphonic acid?
The InChIKey is ZZZFQQZOGGXNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10NO3P/c1-7(13(10,11)12)6-8-4-2-3-5-9-8/h2-6H,1H3,(H2,10,11,12).
What are the key properties of 1-pyridin-2-ylprop-1-en-2-ylphosphonic acid?
1-pyridin-2-ylprop-1-en-2-ylphosphonic acid has a molecular weight of 199.15 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-ylprop-1-en-2-ylphosphonic acid is sourced from PubChem (CID 177312933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).